data_1u86_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 1u86 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.765 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.24 -29.07 10.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.281 1.987 . . . . 0.0 111.091 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.627 ' HB3' HD23 ' A' ' 25' ' ' LEU . 3.7 m-30 -91.86 50.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.415 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.9 tp60 -77.31 126.19 30.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.613 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -68.0 127.96 34.78 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.57 27.36 1.75 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.941 -174.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.77 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -91.62 121.87 66.6 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -64.22 -48.88 4.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.986 2.457 . . . . 0.0 113.35 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -16.92 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.13 0.491 . . . . 0.0 110.811 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.77 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 48.4 t -88.6 -59.7 2.16 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.742 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.89 53.13 2.48 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.296 0.569 . . . . 0.0 111.209 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -100.78 157.71 16.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.529 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.765 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -146.66 128.87 15.7 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 64.6 m-85 -119.93 166.46 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -170.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -14.7 8.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.859 172.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.23 119.32 38.61 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.736 -179.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.4 61.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 0.0 111.28 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.412 ' O ' HD22 ' A' ' 27' ' ' LEU . 17.3 p-10 -87.48 -7.59 57.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.604 0.716 . . . . 0.0 110.231 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -101.92 -42.97 5.94 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.323 -1.351 . . . . 0.0 111.204 178.25 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.15 -21.16 60.76 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.316 177.177 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.42 72.64 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.204 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' ' 23' ' ' ASP . 3.3 pp -73.31 -33.08 64.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.323 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.468 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 26.2 t60 -61.54 -32.94 73.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.808 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 10.8 mtp180 -86.85 -33.28 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.242 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -40.45 94.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.366 . . . . 0.0 110.588 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -17.99 60.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.409 0.623 . . . . 0.0 110.331 177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.599 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 3.5 mmtp . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.962 0.41 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 4.5 Cg_exo -72.7 -24.78 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.089 2.526 . . . . 0.0 111.126 175.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.645 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -92.16 47.17 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.589 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -75.78 141.86 42.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.321 -177.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 37.1 t -80.34 122.76 27.32 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 22.0 1.42 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.977 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.979 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.3 t-105 -78.97 118.7 73.97 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -60.86 -38.24 71.55 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.828 2.352 . . . . 0.0 112.86 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -37.29 44.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.251 0.548 . . . . 0.0 110.511 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.979 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -81.54 -66.98 0.82 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.737 -174.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.61 54.32 1.45 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.348 0.594 . . . . 0.0 111.641 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.879 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.8 mpt_? -90.54 169.11 11.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.18 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.599 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -146.26 129.43 16.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.691 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.645 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 35.7 m-85 -124.19 173.65 8.19 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.19 0.519 . . . . 0.0 111.831 -173.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.02 -13.08 7.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.111 170.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.749 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 2.1 mtm-85 -102.41 123.03 45.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.363 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.5 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -73.67 -22.99 59.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.733 -179.185 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -92.55 -3.36 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.692 0.758 . . . . 0.0 110.28 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.749 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -102.19 -46.34 4.86 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.687 -1.205 . . . . 0.0 111.296 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -73.15 -18.35 61.28 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.046 178.271 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -73.51 -41.68 62.75 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.557 172.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 9.0 mt -72.47 -43.59 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.856 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.73 -38.2 77.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.464 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 7.7 mtp180 -76.87 -29.67 55.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -32.93 71.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.202 0.525 . . . . 0.0 109.855 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -74.96 -5.07 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.425 178.415 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 11.1 m-70 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 109.544 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.859 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.758 0.313 . . . . 0.0 110.507 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -75.08 -33.0 4.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.518 2.145 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.7 m-30 -87.91 54.97 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.602 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.662 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -74.28 133.26 42.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.787 -178.506 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 39.8 t -72.43 120.87 18.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.41 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 31.55 0.46 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.502 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 1.031 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -92.15 125.41 56.73 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -69.12 -38.19 9.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.58 -19.56 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.381 0.61 . . . . 0.0 110.745 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 1.031 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.9 t -101.16 -68.92 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.346 -176.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.76 54.64 0.81 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.511 0.672 . . . . 0.0 111.378 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -94.8 172.04 8.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.088 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.859 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.36 126.38 10.52 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.389 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 58.3 m-85 -121.59 170.8 9.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.614 0.721 . . . . 0.0 112.502 -171.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -13.44 7.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.851 171.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.832 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.84 123.67 46.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.65 178.655 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -74.19 -28.99 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.725 -178.045 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.479 ' O ' HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.08 -17.31 43.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.727 0.775 . . . . 0.0 109.962 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.832 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -88.19 -45.63 9.94 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.418 179.378 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -75.81 -13.09 60.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.825 177.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 22' ' ' SER . . . -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.003 171.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD21 ' O ' ' A' ' 23' ' ' ASP . 1.6 pp -72.22 -35.08 68.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.084 0.469 . . . . 0.0 110.401 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -62.93 -37.15 85.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.807 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.676 HH21 ' HE3' ' A' ' 12' ' ' TRP . 4.3 mtp180 -79.72 -30.56 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.374 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.45 79.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -24.44 64.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.217 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 10.8 m-70 . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 121.112 0.482 . . . . 0.0 111.117 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.763 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.98 -19.96 19.97 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.113 1.875 . . . . 0.0 111.203 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.668 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -106.14 49.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.065 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -73.99 139.74 45.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.722 -176.309 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 7.4 t -77.27 122.72 25.47 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.25 25.1 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.712 -175.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.972 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.9 t-105 -79.99 126.06 80.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 42.6 Cg_exo -63.15 -45.57 12.11 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.77 2.313 . . . . 0.0 113.161 -173.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -18.08 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.965 0.412 . . . . 0.0 111.115 -176.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.972 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.5 t -94.83 -68.69 0.79 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.778 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 61.83 57.58 2.14 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 111.027 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.708 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.2 mpt_? -94.82 169.22 10.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.591 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.763 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -142.72 126.93 17.53 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.992 -0.443 . . . . 0.0 110.579 -177.733 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.668 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 77.5 m-85 -123.22 169.96 10.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.346 0.594 . . . . 0.0 111.94 -174.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.41 -8.67 8.06 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.031 172.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.556 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 128.5 50.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.022 -176.336 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -20.56 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.23 -22.11 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.745 0.783 . . . . 0.0 109.586 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.556 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.12 -44.0 22.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.689 177.422 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -79.37 -4.72 52.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.287 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.78 -48.7 9.13 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.519 -0.738 . . . . 0.0 110.668 170.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -34.9 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.729 0.3 . . . . 0.0 110.837 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.35 -36.17 79.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 109.886 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.769 HH21 ' HE3' ' A' ' 12' ' ' TRP . 5.9 mtp180 -81.47 -20.96 39.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.245 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -38.41 72.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -68.68 -11.62 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.336 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 6.8 m-70 . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.283 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.635 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 4.2 mttp . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -75.95 -31.64 4.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.541 2.16 . . . . 0.0 111.592 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.621 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.6 m-30 -88.61 53.49 2.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.277 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.614 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -77.77 133.49 38.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.559 -176.019 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.4 t -76.64 121.78 23.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.665 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.54 26.66 1.05 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.134 -174.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 1.022 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.1 t-105 -82.18 134.57 48.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.39 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 38.3 Cg_exo -67.75 -51.43 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.928 2.419 . . . . 0.0 113.216 -174.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -10.8 57.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.478 0.656 . . . . 0.0 110.768 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 1.022 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 12.8 t -93.42 -66.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.628 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 63.24 54.78 1.99 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.223 0.535 . . . . 0.0 110.968 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.721 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.8 mpt_? -101.43 172.08 7.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.797 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.635 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -152.46 134.57 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 63.2 m-85 -129.93 174.32 9.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.5 0.667 . . . . 0.0 112.172 -173.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.72 -5.17 4.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.85 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.717 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 117.37 34.63 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.447 -179.819 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -18.73 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.855 0.359 . . . . 0.0 111.868 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.69 -9.35 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.598 0.713 . . . . 0.0 110.227 -178.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.717 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -101.33 -44.06 5.76 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 118.41 -1.316 . . . . 0.0 111.37 -177.3 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.496 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -72.88 -21.41 60.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 175.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -40.73 66.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.411 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.542 ' HA ' HD21 ' A' ' 27' ' ' LEU . 3.0 mt -72.32 -43.75 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.167 0.508 . . . . 0.0 110.099 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 14.6 t60 -57.88 -40.12 79.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.409 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.4 mtp180 -78.35 -27.48 47.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -42.55 93.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -61.95 -22.62 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.272 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.523 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 15.5 m-70 . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.561 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmpp? . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.644 0.259 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -67.11 -28.97 40.49 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 122.592 2.194 . . . . 0.0 110.51 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.644 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.4 m-30 -94.91 44.91 1.1 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.364 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.744 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -74.59 127.62 33.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 16.3 t -68.98 121.7 17.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.4 18.49 3.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.904 -175.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.932 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -72.27 127.22 90.57 Favored Pre-proline 0 N--CA 1.453 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -52.74 -59.99 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.493 2.795 . . . . 0.0 113.439 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.22 -39.57 63.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -177.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.932 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 7.7 t -63.56 -73.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.525 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.5 63.59 0.87 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.48 0.657 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.804 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.1 mpt_? -100.35 -178.99 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.814 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.744 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -160.01 130.29 5.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -125.15 165.18 18.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.368 0.604 . . . . 0.0 112.25 -172.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -115.51 -17.45 11.2 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.596 -1.184 . . . . 0.0 108.834 170.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.63 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -100.71 127.29 47.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 177.029 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -73.82 -27.88 61.33 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.876 178.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' O ' HD21 ' A' ' 27' ' ' LEU . 3.7 p-10 -81.32 -5.9 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.276 0.56 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.63 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.18 -50.32 4.0 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.117 177.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.84 -14.59 62.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.374 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -76.7 -43.52 37.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.044 172.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 23' ' ' ASP . 1.1 pp -77.28 -35.48 55.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.21 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -61.67 -36.65 81.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.743 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.5 mtp180 -79.97 -23.48 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.88 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -38.64 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.941 0.401 . . . . 0.0 110.102 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -11.87 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.8 m-70 . . . . . 0 N--CA 1.447 -0.601 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.416 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 39.2 mmtt . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.2 -29.52 11.47 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 121.926 1.751 . . . . 0.0 110.84 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.648 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.2 m-30 -97.83 56.16 1.24 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.658 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -75.68 138.05 41.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.309 -177.285 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 10.6 t -81.86 128.53 34.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.632 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.33 32.64 1.03 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.992 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 1.007 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.0 t-105 -90.59 129.44 44.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 45.3 Cg_exo -61.28 -58.44 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.767 2.311 . . . . 0.0 113.237 -174.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.31 -34.7 75.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.076 0.465 . . . . 0.0 110.76 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 1.007 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 2.8 t -75.75 -73.07 0.28 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.049 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 61.99 59.98 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 110.787 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -99.86 170.54 8.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.76 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -146.88 129.87 16.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.648 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -123.97 168.2 13.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.419 0.628 . . . . 0.0 112.227 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.29 -8.1 8.7 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.265 169.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.594 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.3 114.97 29.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.604 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -25.05 60.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.86 0.362 . . . . 0.0 111.74 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -3.86 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.445 0.64 . . . . 0.0 110.228 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.22 -51.82 3.56 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 118.644 -1.223 . . . . 0.0 111.526 175.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.617 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.32 -18.31 65.28 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.707 178.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -48.64 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.259 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 24' ' ' HIS . 1.7 pp -72.87 -33.84 66.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.058 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.1 t60 -59.54 -36.13 75.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.677 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.8 mtp180 -83.87 -28.39 28.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.461 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -42.02 87.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.746 0.308 . . . . 0.0 110.776 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.62 -6.44 53.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.515 -0.392 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 28.1 mttp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.9 -21.38 18.61 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.033 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.624 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 m-30 -99.78 54.16 0.93 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.972 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.23 138.9 36.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.117 -177.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.4 t -74.11 124.02 25.51 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.413 176.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.61 21.72 2.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.005 -175.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.788 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.9 t-105 -84.4 119.02 72.54 Favored Pre-proline 0 C--N 1.331 -0.204 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -59.25 -44.9 30.33 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.886 2.39 . . . . 0.0 113.55 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.36 -13.36 60.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 110.824 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 40.6 t -101.31 -73.54 0.65 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.961 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t0 64.42 59.68 0.98 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 172.65 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.784 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.668 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 10.4 p -147.41 131.68 17.48 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.737 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 85.0 m-85 -130.49 -178.89 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.2 0.524 . . . . 0.0 111.215 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.16 -2.49 4.52 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.85 172.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 123.6 47.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.556 -179.251 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -14.52 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -175.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.488 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 6.0 t70 -111.56 -16.66 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.567 0.699 . . . . 0.0 109.847 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.92 -37.69 17.39 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.683 -1.207 . . . . 0.0 110.69 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.35 -17.13 52.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.35 173.323 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.49 61.52 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.969 168.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 mt -66.13 -41.88 89.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.324 0.583 . . . . 0.0 109.971 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 7.3 t60 -61.84 -36.25 80.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.286 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.598 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -82.32 -22.29 35.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.703 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -65.48 -38.51 90.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.474 177.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -72.24 -14.97 61.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.978 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.598 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 12.0 m-70 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.545 0.688 . . . . 0.0 109.853 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.58 -23.43 23.22 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.964 1.776 . . . . 0.0 110.561 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.697 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.7 m-30 -101.33 47.72 0.9 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.357 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.4 tp60 -75.13 134.2 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.151 -178.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.648 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 1.6 t -73.26 126.53 30.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.9 19.3 3.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.983 -174.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.963 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -77.96 129.7 75.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 34.2 Cg_exo -63.11 -54.77 0.96 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.937 2.425 . . . . 0.0 112.794 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.73 -24.96 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.358 0.599 . . . . 0.0 111.157 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.963 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 39.1 t -89.08 -69.65 0.7 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.97 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t0 59.52 65.51 1.15 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.965 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.813 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 1.5 mpt_? -100.52 172.98 6.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.023 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.611 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -148.25 126.4 12.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.742 0.306 . . . . 0.0 110.221 -179.454 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.697 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.3 m-85 -122.19 167.67 12.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.275 0.56 . . . . 0.0 111.402 -174.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -5.96 10.87 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 171.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.54 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 125.31 48.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.74 -177.308 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -80.79 -24.07 38.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.27 -5.92 22.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.829 0.824 . . . . 0.0 109.985 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.54 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.29 -42.64 9.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.096 177.123 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -77.22 -23.53 51.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.474 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -70.05 -41.98 73.46 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.628 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.73 -30.56 56.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 177.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.548 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 27.9 t60 -60.76 -35.14 75.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.485 174.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.428 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -86.53 -12.09 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -77.34 -46.38 23.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.387 176.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -15.13 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.725 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 22.7 mmtt . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.98 -28.95 8.76 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.231 1.954 . . . . 0.0 111.027 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.2 m-30 -97.0 53.54 1.2 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.996 177.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.675 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.17 141.46 35.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.319 -176.161 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 2.5 t -81.22 121.32 26.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.95 25.55 2.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.954 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.8 t-105 -77.1 131.26 73.07 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 176.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 72.7 Cg_exo -58.17 -54.19 3.39 Favored 'Trans proline' 0 N--CA 1.474 0.331 0 C-N-CA 123.048 2.498 . . . . 0.0 113.889 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.71 -15.05 50.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 111.164 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.943 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.3 t -92.69 -74.07 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.898 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.13 64.75 1.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.451 0.644 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.94 175.95 6.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.32 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.675 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.37 127.09 8.8 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.521 -177.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 29.9 m-85 -124.9 172.78 9.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.087 0.47 . . . . 0.0 111.129 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 -14.0 7.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.997 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.649 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.47 129.57 47.55 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.811 179.51 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -26.41 46.87 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.748 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 t70 -86.37 -8.34 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.714 0.768 . . . . 0.0 110.113 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.649 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -100.76 -40.37 7.37 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 118.675 -1.21 . . . . 0.0 111.364 -178.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.545 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -78.37 -17.75 56.04 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 176.603 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.04 -36.47 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.085 -0.384 . . . . 0.0 110.209 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.64 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.7 mt -67.93 -49.17 63.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 109.308 175.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -56.97 -43.46 81.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.306 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.9 mtp180 -79.08 -25.01 43.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.829 -175.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.64 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.94 -26.6 57.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.224 0.535 . . . . 0.0 109.685 175.498 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.97 -19.63 61.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.582 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m-70 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.272 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.908 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -74.95 -31.95 5.86 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.215 1.944 . . . . 0.0 111.087 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.6 m-30 -92.38 47.54 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.247 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.711 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.5 tt0 -77.37 134.21 38.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.07 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.7 t -74.62 128.73 36.27 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 11.67 22.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.992 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.944 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -70.29 126.53 92.37 Favored Pre-proline 0 C--N 1.33 -0.251 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.411 178.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -58.84 -56.48 1.41 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.18 2.586 . . . . 0.0 113.745 -173.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -4.66 51.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.168 0.509 . . . . 0.0 111.069 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.944 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.2 t -100.15 -73.73 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.259 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t0 65.7 57.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.559 0.695 . . . . 0.0 110.773 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.588 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.578 177.395 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.908 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -153.18 129.5 10.54 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.211 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 79.9 m-85 -128.38 174.02 9.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.914 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -5.49 5.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.625 168.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.785 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.45 125.45 49.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.457 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.551 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -75.86 -26.18 56.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.968 -178.146 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -19.52 28.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.907 0.861 . . . . 0.0 109.75 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.785 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -84.72 -46.33 11.55 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.991 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -77.84 -17.02 57.86 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.688 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -75.41 -43.64 48.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.904 172.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -73.74 -37.33 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.113 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.442 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 20.7 t60 -61.6 -33.05 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.197 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.4 mtp180 -87.57 -31.37 19.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.795 -176.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.7 -31.01 70.67 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.528 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -78.6 -10.18 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 m-70 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 121.416 0.627 . . . . 0.0 109.37 175.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.19 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -79.86 -29.37 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.749 2.3 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.455 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 3.8 m-30 -93.74 57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.643 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -71.68 133.47 45.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.033 -175.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -74.89 127.6 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.372 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.34 30.56 2.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.047 -175.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.833 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -88.14 129.71 48.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -58.79 -61.14 0.27 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.813 2.342 . . . . 0.0 113.319 -173.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -32.02 73.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.235 0.541 . . . . 0.0 111.191 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.833 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 42.4 t -76.94 -68.59 0.59 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.065 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 59.36 62.87 1.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.831 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -101.16 178.96 4.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.643 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -155.94 128.12 7.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.206 -178.18 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.605 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.8 m-85 -127.15 170.52 12.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.594 0.712 . . . . 0.0 111.957 -174.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.41 -5.69 5.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.619 172.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.682 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.04 116.19 32.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.557 -1.202 . . . . 0.0 110.356 -178.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -19.49 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.93 -12.58 23.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.715 0.769 . . . . 0.0 109.871 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.682 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -96.24 -44.37 7.3 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.485 -178.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -73.4 -14.68 61.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.605 176.042 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.89 -47.48 45.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 0.0 111.075 173.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.527 HD22 ' O ' ' A' ' 23' ' ' ASP . 3.2 pp -73.44 -34.97 65.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.4 t60 -59.0 -33.84 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.932 175.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.7 mtp180 -90.17 -26.61 20.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.567 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -43.32 79.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.704 0.288 . . . . 0.0 110.484 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -10.38 59.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.554 177.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.682 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.118 0.485 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -69.87 -33.05 16.94 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.8 2.334 . . . . 0.0 110.937 177.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.586 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.1 m-30 -96.11 47.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.508 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.67 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.66 142.76 49.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.666 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 5.6 t -82.54 128.44 34.3 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.28 22.3 4.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.902 -175.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 1.006 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.6 t-105 -78.85 132.08 65.33 Favored Pre-proline 0 C--N 1.326 -0.441 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.248 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 53.5 Cg_exo -57.1 -61.25 0.32 Allowed 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.035 2.49 . . . . 0.0 113.408 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -14.38 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 111.239 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 1.006 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.2 t -93.13 -73.35 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.92 56.97 2.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.534 0.683 . . . . 0.0 110.742 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 174.79 7.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.628 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.682 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -149.47 126.31 11.14 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -177.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.1 m-85 -126.87 169.12 13.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 112.454 -172.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 m -125.03 -9.5 7.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.96 171.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -101.46 120.25 40.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.927 179.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.438 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -73.2 -22.63 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.48 -8.56 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.004 0.907 . . . . 0.0 109.954 -178.263 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.526 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -99.96 -43.11 6.49 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.477 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -74.09 -20.47 60.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.818 175.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' O ' ' HD3' ' A' ' 30' ' ' LYS . . . -71.18 -44.27 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.943 -0.473 . . . . 0.0 110.322 171.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 8.7 mt -65.6 -46.47 79.22 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.381 0.61 . . . . 0.0 109.818 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t60 -56.42 -40.03 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.77 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.607 HH21 ' HE3' ' A' ' 12' ' ' TRP . 10.8 mtp180 -81.98 -26.74 33.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.422 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -70.19 -39.82 75.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.281 0.562 . . . . 0.0 109.724 176.534 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.509 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.98 -13.06 62.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.261 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.5 m-70 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.338 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.681 ' HD3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -75.61 -27.72 8.81 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.394 2.063 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.673 ' HB3' HD21 ' A' ' 25' ' ' LEU . 3.1 m-30 -103.24 55.09 0.75 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.48 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 2.0 tt0 -75.13 120.88 21.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.072 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.65 129.31 39.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.66 28.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.859 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -92.33 127.07 50.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 54.1 Cg_exo -59.39 -63.5 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.939 2.426 . . . . 0.0 113.534 -172.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.955 0.407 . . . . 0.0 110.956 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.859 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 46.2 t -62.46 -60.94 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.899 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 59.93 59.28 2.49 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.424 0.63 . . . . 0.0 110.841 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 167.76 9.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.036 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.681 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 1.4 p -153.4 128.68 9.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 80.8 m-85 -123.9 155.16 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.344 0.592 . . . . 0.0 112.301 -172.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -6.97 11.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.262 168.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.11 113.51 26.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.969 178.02 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -66.51 -34.57 78.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.389 . . . . 0.0 111.607 -177.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -11.77 59.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 110.771 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -92.61 -50.23 5.7 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.729 176.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.39 -25.56 63.3 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -70.92 -39.17 72.86 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.098 175.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' CD2' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -79.81 -35.1 38.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 178.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 22.4 t60 -58.84 -34.43 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.24 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.587 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -84.65 -27.64 26.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.366 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -36.25 76.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.859 177.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -91.0 13.28 17.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.153 0.502 . . . . 0.0 110.616 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.874 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 7.0 mttp . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.517 0.199 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.71 -28.99 9.24 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.276 1.984 . . . . 0.0 111.202 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.2 m-30 -93.3 50.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.621 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -72.1 133.51 45.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.1 t -71.78 130.81 42.0 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.37 16.1 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.827 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t-105 -83.21 122.17 77.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.846 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 33.4 Cg_exo -62.57 -48.31 7.62 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.986 2.457 . . . . 0.0 113.002 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.86 -17.99 64.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.264 0.554 . . . . 0.0 110.991 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.827 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.8 t -100.04 -67.66 0.84 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.601 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.92 63.28 0.83 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.454 0.645 . . . . 0.0 111.14 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -100.77 175.16 5.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.195 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.874 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -152.44 125.28 8.45 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -178.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.612 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 65.8 m-85 -123.15 166.3 15.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.488 0.661 . . . . 0.0 112.741 -170.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 -12.47 9.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.773 170.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.779 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.32 122.33 43.51 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.577 -179.606 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -27.48 63.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.88 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' O ' HD22 ' A' ' 27' ' ' LEU . 36.8 t70 -90.6 -7.36 52.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.742 0.782 . . . . 0.0 110.182 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -93.91 -44.47 8.07 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.879 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -76.46 -4.02 40.32 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 175.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.49 -48.95 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.817 -0.552 . . . . 0.0 110.791 170.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 23' ' ' ASP . 1.4 pp -72.82 -36.61 67.56 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.568 HH21 ' HE3' ' A' ' 12' ' ' TRP . 13.7 mtp180 -85.25 -23.87 28.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.253 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -42.17 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 109.856 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -74.31 -3.31 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.641 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.9 m-70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.933 0.397 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.48 -23.97 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.728 2.286 . . . . 0.0 111.363 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB3' HD21 ' A' ' 25' ' ' LEU . 3.6 m-30 -101.46 47.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.532 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.727 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -71.36 135.66 47.43 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 43.0 t -74.91 112.51 11.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 32.44 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.286 -176.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.912 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -87.53 121.29 71.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.552 174.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.5 -25.91 29.31 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.438 2.092 . . . . 0.0 112.778 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -88.29 -23.04 23.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.464 0.649 . . . . 0.0 110.39 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.912 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.1 t -100.29 -66.46 0.91 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.106 -176.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 67.18 58.56 0.55 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.448 0.642 . . . . 0.0 111.256 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -100.97 175.91 5.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.042 178.104 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.727 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.02 129.68 10.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.633 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 60.4 m-85 -124.64 165.35 18.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.694 0.759 . . . . 0.0 112.759 -172.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -17.24 10.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.269 -1.332 . . . . 0.0 108.55 172.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.658 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.05 119.86 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.563 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -25.98 59.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.653 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -12.93 53.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.974 0.892 . . . . 0.0 109.689 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -95.78 -45.33 7.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.159 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.59 -20.24 60.66 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.423 176.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -71.07 -46.43 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.71 173.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -34.95 64.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -63.36 -36.88 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.582 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -78.22 -26.37 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.822 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -66.47 -30.86 71.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.047 0.451 . . . . 0.0 109.866 174.612 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 -70.15 -16.45 63.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.021 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 38.7 m-70 . . . . . 0 N--CA 1.447 -0.597 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.492 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 2.6 mmmt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.25 0.547 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -73.27 -33.53 7.09 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.327 2.685 . . . . 0.0 111.819 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.5 m-30 -92.85 46.6 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.67 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -68.61 138.09 54.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.167 -178.33 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 40.1 t -79.62 120.71 24.33 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.29 34.25 0.51 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.433 -176.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.99 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.5 t-105 -91.76 134.66 28.69 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 39.5 Cg_exo -66.8 -57.88 0.18 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.726 2.284 . . . . 0.0 112.764 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -29.05 66.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.217 0.532 . . . . 0.0 110.689 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.99 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.6 t -81.25 -74.95 0.3 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.01 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 66.45 44.04 2.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.5 0.667 . . . . 0.0 111.041 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -84.5 170.77 13.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.143 178.632 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.67 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -144.33 127.01 16.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.291 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.662 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 50.1 m-85 -122.49 173.44 7.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.695 0.76 . . . . 0.0 112.591 -171.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.09 -7.02 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.225 173.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' CB ' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.66 122.87 44.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.145 176.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.493 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -70.04 -26.93 64.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.268 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -98.38 -18.91 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.627 0.727 . . . . 0.0 110.418 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.585 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.76 -41.06 27.38 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.893 -1.123 . . . . 0.0 110.549 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.662 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -81.27 -14.55 57.28 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.91 177.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -76.73 -42.93 39.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.039 -0.413 . . . . 0.0 111.074 173.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -78.11 -31.57 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.383 . . . . 0.0 110.102 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 19.1 t60 -63.78 -33.0 74.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.943 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -91.06 -15.81 28.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.288 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.54 -27.17 41.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.303 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -24.74 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.455 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.552 ' HB3' ' CZ2' ' A' ' 12' ' ' TRP . 2.7 m-70 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.527 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.878 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 1.8 mmtm . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.46 -26.03 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.203 1.936 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.2 m-30 -96.1 46.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.251 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.648 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.2 141.95 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 32.2 t -87.26 116.8 25.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.5 t -86.55 23.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.839 -175.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.954 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 3.2 t-105 -75.34 121.01 84.3 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.94 -44.18 37.42 Favored 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 122.756 2.304 . . . . 0.0 113.29 -173.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -77.99 -16.53 58.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.611 0.719 . . . . 0.0 110.613 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.954 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.9 t -99.1 -71.74 0.68 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.584 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t0 64.48 57.8 1.12 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 110.61 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.65 177.04 5.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.908 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.878 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 1.3 p -154.73 125.6 7.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.425 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 62.6 m-85 -123.96 164.05 20.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.456 0.646 . . . . 0.0 112.004 -174.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.17 -15.23 9.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.141 171.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.54 118.59 37.27 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.644 178.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -68.59 -32.73 72.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.147 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -7.63 56.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.014 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -99.47 -46.43 5.48 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 118.664 -1.215 . . . . 0.0 111.466 176.213 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.93 -21.4 60.06 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' SER . . . -74.67 -37.24 62.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.727 -0.608 . . . . 0.0 111.052 174.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.733 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.11 -36.52 35.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.239 0.542 . . . . 0.0 109.872 178.006 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -63.07 -30.95 72.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.482 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.5 mtp180 -90.23 -24.06 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.749 -176.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.733 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.05 -30.21 63.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.526 179.593 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -82.34 -9.3 59.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.121 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.8 m-70 . . . . . 0 C--N 1.332 -0.179 0 CA-C-O 121.16 0.505 . . . . 0.0 110.554 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.817 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 8.5 mmtt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.68 -27.97 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.266 1.977 . . . . 0.0 111.352 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.647 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.5 m-30 -92.79 54.99 2.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.135 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.553 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -73.53 138.51 45.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.38 -176.518 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.3 t -80.69 115.99 20.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 174.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.95 29.24 0.47 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.79 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.879 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -87.47 125.02 66.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 173.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -66.81 -45.46 4.39 Favored 'Trans proline' 0 N--CA 1.473 0.275 0 C-N-CA 122.901 2.4 . . . . 0.0 112.713 -173.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -22.11 62.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.667 0.746 . . . . 0.0 110.874 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.879 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 4.3 t -97.44 -68.78 0.78 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.396 -176.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.06 55.98 1.86 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.825 0.822 . . . . 0.0 111.189 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.73 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 6.2 mpt_? -97.67 173.55 7.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.313 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.817 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 57.8 m -158.98 132.17 7.18 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.647 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 66.2 m-85 -123.75 174.12 7.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.409 0.623 . . . . 0.0 112.168 -172.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -5.03 9.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.156 170.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.586 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -102.57 122.02 43.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.394 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -19.14 58.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.64 -19.32 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.848 0.832 . . . . 0.0 109.599 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -80.59 -40.02 26.52 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.495 179.181 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -82.86 -7.06 59.69 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.97 175.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.31 16.42 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.833 -0.542 . . . . 0.0 110.451 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 24' ' ' HIS . 2.4 pp -74.3 -37.79 63.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.967 0.413 . . . . 0.0 110.011 177.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 40.1 t60 -58.24 -36.94 73.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.178 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.491 HH21 ' HE3' ' A' ' 12' ' ' TRP . 3.6 mtp180 -82.85 -20.5 35.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.85 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -35.75 64.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.45 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -20.93 66.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.816 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 17.4 m-70 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.946 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.548 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 3.2 mmtp . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.587 0.232 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -67.69 -27.77 37.98 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.0 1.8 . . . . 0.0 110.038 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.683 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.7 m-30 -94.34 52.86 1.62 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.371 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.51 ' OE1' ' HB3' ' A' ' 18' ' ' SER . 4.4 tp60 -78.56 127.87 32.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.429 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.574 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 19.5 t -67.4 128.57 36.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.579 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.34 14.81 7.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.159 -175.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.973 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -76.52 127.93 83.34 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.852 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -60.66 -52.82 3.31 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.965 2.443 . . . . 0.0 113.268 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -77.29 -15.13 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.296 0.569 . . . . 0.0 110.893 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.973 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 37.9 t -94.99 -75.99 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.884 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.22 66.48 0.95 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.574 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.76 170.6 9.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.113 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.548 ' HB2' ' CG ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -143.44 126.25 16.15 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.28 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.683 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.1 m-85 -122.56 155.47 36.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.325 0.583 . . . . 0.0 112.16 -173.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -15.47 15.1 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.713 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.794 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.66 121.74 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.999 -178.169 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.79 62.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.082 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' HD21 ' A' ' 27' ' ' LEU . 36.3 t70 -85.57 -6.76 59.13 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.79 0.805 . . . . 0.0 110.348 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.794 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -95.36 -45.61 7.06 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.048 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.677 HD23 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.61 -24.68 60.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.448 177.371 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.48 -42.78 74.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.934 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.741 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -77.36 -37.0 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.179 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.2 t60 -58.69 -36.63 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.146 176.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.561 ' HA ' ' HD2' ' A' ' 32' ' ' HIS . 4.6 mtp180 -81.01 -31.28 34.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.894 -176.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.741 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.22 -30.0 60.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.143 0.497 . . . . 0.0 109.951 177.016 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -68.89 -21.21 64.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.874 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.561 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.2 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.955 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.86 94.62 8.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.52 43.28 2.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.64 -15.72 33.57 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.923 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.71 80.82 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.658 0.742 . . . . 0.0 109.594 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.765 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER -119.18 149.03 46.37 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.723 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.24 -29.07 10.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.281 1.987 . . . . 0.0 111.091 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.627 ' HB3' HD23 ' A' ' 25' ' ' LEU . 3.7 m-30 -91.86 50.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.415 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.9 tp60 -77.31 126.19 30.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.613 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -68.0 127.96 34.78 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.57 27.36 1.75 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.941 -174.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.77 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -91.62 121.87 66.6 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -64.22 -48.88 4.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.986 2.457 . . . . 0.0 113.35 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -16.92 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.13 0.491 . . . . 0.0 110.811 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.77 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 48.4 t -88.6 -59.7 2.16 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.742 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.89 53.13 2.48 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.296 0.569 . . . . 0.0 111.209 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -100.78 157.71 16.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.529 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.765 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -146.66 128.87 15.7 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 64.6 m-85 -119.93 166.46 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -170.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -14.7 8.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.859 172.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.23 119.32 38.61 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.736 -179.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.4 61.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 0.0 111.28 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.412 ' O ' HD22 ' A' ' 27' ' ' LEU . 17.3 p-10 -87.48 -7.59 57.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.604 0.716 . . . . 0.0 110.231 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -101.92 -42.97 5.94 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.323 -1.351 . . . . 0.0 111.204 178.25 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.15 -21.16 60.76 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.316 177.177 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.42 72.64 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.204 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' ' 23' ' ' ASP . 3.3 pp -73.31 -33.08 64.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.323 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.468 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 26.2 t60 -61.54 -32.94 73.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.808 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 10.8 mtp180 -86.85 -33.28 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.242 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -40.45 94.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.366 . . . . 0.0 110.588 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -17.99 60.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER -67.87 -45.81 73.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.409 0.623 . . . . 0.0 110.331 177.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.8 ptm -88.18 7.39 32.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.394 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.33 59.74 2.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.262 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.919 179.045 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -41.32 37.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.839 0.352 . . . . 0.0 110.511 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.34 87.04 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.326 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.49 -49.79 1.95 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.02 124.21 38.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 171.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.599 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 3.5 mmtp -79.74 143.65 58.86 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 120.962 0.41 . . . . 0.0 111.057 -175.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 4.5 Cg_exo -72.7 -24.78 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.089 2.526 . . . . 0.0 111.126 175.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.645 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -92.16 47.17 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.589 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -75.78 141.86 42.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.321 -177.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 37.1 t -80.34 122.76 27.32 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 22.0 1.42 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.977 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.979 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.3 t-105 -78.97 118.7 73.97 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -60.86 -38.24 71.55 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.828 2.352 . . . . 0.0 112.86 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -37.29 44.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.251 0.548 . . . . 0.0 110.511 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.979 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -81.54 -66.98 0.82 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.737 -174.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.61 54.32 1.45 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.348 0.594 . . . . 0.0 111.641 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.879 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.8 mpt_? -90.54 169.11 11.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.18 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.599 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -146.26 129.43 16.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.691 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.645 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 35.7 m-85 -124.19 173.65 8.19 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.19 0.519 . . . . 0.0 111.831 -173.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.02 -13.08 7.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.111 170.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.749 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 2.1 mtm-85 -102.41 123.03 45.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.363 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.5 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -73.67 -22.99 59.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.733 -179.185 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -92.55 -3.36 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.692 0.758 . . . . 0.0 110.28 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.749 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -102.19 -46.34 4.86 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.687 -1.205 . . . . 0.0 111.296 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -73.15 -18.35 61.28 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.046 178.271 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -73.51 -41.68 62.75 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.557 172.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 9.0 mt -72.47 -43.59 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.856 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.73 -38.2 77.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.464 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 7.7 mtp180 -76.87 -29.67 55.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -32.93 71.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.202 0.525 . . . . 0.0 109.855 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -74.96 -5.07 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.425 178.415 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 11.1 m-70 -82.01 -53.13 6.38 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 109.544 175.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -28.59 63.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt 54.76 59.0 4.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.06 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.249 1.076 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.677 179.651 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.06 -16.51 22.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.822 0.344 . . . . 0.0 110.731 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -73.51 96.48 2.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.788 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.76 -30.37 0.19 Allowed Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.559 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.6 mt -84.68 129.32 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.823 0.344 . . . . 0.0 110.138 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.859 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER -79.75 140.82 55.02 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.507 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -75.08 -33.0 4.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.518 2.145 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.7 m-30 -87.91 54.97 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.602 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.662 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -74.28 133.26 42.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.787 -178.506 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 39.8 t -72.43 120.87 18.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.41 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 31.55 0.46 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.502 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 1.031 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -92.15 125.41 56.73 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -69.12 -38.19 9.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.58 -19.56 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.381 0.61 . . . . 0.0 110.745 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 1.031 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.9 t -101.16 -68.92 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.346 -176.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.76 54.64 0.81 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.511 0.672 . . . . 0.0 111.378 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -94.8 172.04 8.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.088 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.859 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.36 126.38 10.52 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.389 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 58.3 m-85 -121.59 170.8 9.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.614 0.721 . . . . 0.0 112.502 -171.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -13.44 7.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.851 171.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.832 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.84 123.67 46.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.65 178.655 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -74.19 -28.99 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.725 -178.045 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.479 ' O ' HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.08 -17.31 43.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.727 0.775 . . . . 0.0 109.962 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.832 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -88.19 -45.63 9.94 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.418 179.378 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -75.81 -13.09 60.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.825 177.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 22' ' ' SER . . . -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.003 171.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD21 ' O ' ' A' ' 23' ' ' ASP . 1.6 pp -72.22 -35.08 68.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.084 0.469 . . . . 0.0 110.401 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -62.93 -37.15 85.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.807 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.676 HH21 ' HE3' ' A' ' 12' ' ' TRP . 4.3 mtp180 -79.72 -30.56 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.374 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.45 79.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -24.44 64.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.217 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 10.8 m-70 -63.18 -32.06 73.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.112 0.482 . . . . 0.0 111.117 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtm -80.59 -11.89 59.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.94 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -121.29 33.29 5.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.328 0.585 . . . . 0.0 110.567 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.355 177.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.04 -12.61 57.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 0.0 111.05 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.75 42.73 1.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.0 0.429 . . . . 0.0 110.742 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.27 -41.61 1.05 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.552 -0.833 . . . . 0.0 111.947 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.7 mm -79.34 99.88 3.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.613 0.721 . . . . 0.0 110.574 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.763 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.5 OUTLIER -79.51 157.3 75.06 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.366 178.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.98 -19.96 19.97 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.113 1.875 . . . . 0.0 111.203 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.668 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -106.14 49.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.065 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -73.99 139.74 45.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.722 -176.309 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 7.4 t -77.27 122.72 25.47 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.25 25.1 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.712 -175.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.972 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.9 t-105 -79.99 126.06 80.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 42.6 Cg_exo -63.15 -45.57 12.11 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.77 2.313 . . . . 0.0 113.161 -173.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -18.08 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.965 0.412 . . . . 0.0 111.115 -176.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.972 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.5 t -94.83 -68.69 0.79 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.778 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 61.83 57.58 2.14 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 111.027 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.708 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.2 mpt_? -94.82 169.22 10.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.591 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.763 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -142.72 126.93 17.53 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.992 -0.443 . . . . 0.0 110.579 -177.733 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.668 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 77.5 m-85 -123.22 169.96 10.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.346 0.594 . . . . 0.0 111.94 -174.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.41 -8.67 8.06 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.031 172.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 128.5 50.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.022 -176.336 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -20.56 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.23 -22.11 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.745 0.783 . . . . 0.0 109.586 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.556 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.12 -44.0 22.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.689 177.422 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -79.37 -4.72 52.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.287 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.78 -48.7 9.13 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.519 -0.738 . . . . 0.0 110.668 170.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -34.9 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.729 0.3 . . . . 0.0 110.837 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.35 -36.17 79.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 109.886 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.769 HH21 ' HE3' ' A' ' 12' ' ' TRP . 5.9 mtp180 -81.47 -20.96 39.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.245 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -38.41 72.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -68.68 -11.62 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.336 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 6.8 m-70 -79.82 -41.47 26.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.283 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 ptp -86.81 -21.18 26.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.811 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.09 61.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.277 0.56 . . . . 0.0 110.272 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.201 -179.791 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 112.126 -0.39 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -55.81 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.973 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -119.27 74.08 0.97 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.107 0.479 . . . . 0.0 110.843 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.55 -31.19 5.89 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -101.56 115.5 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.635 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 4.2 mttp -107.32 140.61 21.65 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.875 -175.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -75.95 -31.64 4.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.541 2.16 . . . . 0.0 111.592 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.621 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.6 m-30 -88.61 53.49 2.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.277 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.614 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -77.77 133.49 38.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.559 -176.019 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.4 t -76.64 121.78 23.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.665 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.54 26.66 1.05 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.134 -174.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 1.022 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.1 t-105 -82.18 134.57 48.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.39 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 38.3 Cg_exo -67.75 -51.43 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.928 2.419 . . . . 0.0 113.216 -174.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -10.8 57.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.478 0.656 . . . . 0.0 110.768 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 1.022 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 12.8 t -93.42 -66.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.628 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 63.24 54.78 1.99 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.223 0.535 . . . . 0.0 110.968 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.721 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.8 mpt_? -101.43 172.08 7.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.797 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.635 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -152.46 134.57 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 63.2 m-85 -129.93 174.32 9.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.5 0.667 . . . . 0.0 112.172 -173.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.72 -5.17 4.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.85 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.717 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 117.37 34.63 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.447 -179.819 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -18.73 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.855 0.359 . . . . 0.0 111.868 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.69 -9.35 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.598 0.713 . . . . 0.0 110.227 -178.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.717 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -101.33 -44.06 5.76 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 118.41 -1.316 . . . . 0.0 111.37 -177.3 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -72.88 -21.41 60.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 175.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -40.73 66.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.411 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.542 ' HA ' HD21 ' A' ' 27' ' ' LEU . 3.0 mt -72.32 -43.75 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.167 0.508 . . . . 0.0 110.099 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 14.6 t60 -57.88 -40.12 79.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.409 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.4 mtp180 -78.35 -27.48 47.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -42.55 93.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -61.95 -22.62 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.272 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.523 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 15.5 m-70 -73.36 -47.57 41.25 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.561 178.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.0 ptm -82.27 -22.38 35.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.055 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.5 63.79 3.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.33 0.586 . . . . 0.0 110.399 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.181 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.149 -0.38 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.97 -16.87 28.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.093 0.473 . . . . 0.0 110.64 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.19 95.35 4.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.945 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.67 -43.47 3.13 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.7 114.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 0.0 110.063 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmpp? -79.16 151.6 75.78 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.618 -177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -67.11 -28.97 40.49 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 122.592 2.194 . . . . 0.0 110.51 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.644 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.4 m-30 -94.91 44.91 1.1 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.364 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.744 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -74.59 127.62 33.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 16.3 t -68.98 121.7 17.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.4 18.49 3.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.904 -175.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.932 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -72.27 127.22 90.57 Favored Pre-proline 0 N--CA 1.453 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -52.74 -59.99 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.493 2.795 . . . . 0.0 113.439 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.22 -39.57 63.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -177.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.932 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 7.7 t -63.56 -73.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.525 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.5 63.59 0.87 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.48 0.657 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.804 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.1 mpt_? -100.35 -178.99 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.814 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.744 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -160.01 130.29 5.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -125.15 165.18 18.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.368 0.604 . . . . 0.0 112.25 -172.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -115.51 -17.45 11.2 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.596 -1.184 . . . . 0.0 108.834 170.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.63 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -100.71 127.29 47.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 177.029 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -73.82 -27.88 61.33 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.876 178.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' O ' HD21 ' A' ' 27' ' ' LEU . 3.7 p-10 -81.32 -5.9 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.276 0.56 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.63 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.18 -50.32 4.0 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.117 177.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.84 -14.59 62.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.374 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -76.7 -43.52 37.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.044 172.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 23' ' ' ASP . 1.1 pp -77.28 -35.48 55.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.21 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -61.67 -36.65 81.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.743 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.5 mtp180 -79.97 -23.48 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.88 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -38.64 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.941 0.401 . . . . 0.0 110.102 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -11.87 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.8 m-70 -81.58 -52.39 7.25 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.416 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.614 ' HG3' ' HG ' ' A' ' 34' ' ' LEU . 12.3 ptm -73.45 -25.33 60.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.284 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.614 ' HG ' ' HG3' ' A' ' 33' ' ' MET . 2.2 mt -112.54 71.79 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.437 0.637 . . . . 0.0 110.167 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.073 178.271 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -94.84 137.58 33.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.91 53.55 1.7 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.22 0.533 . . . . 0.0 110.787 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.57 31.78 6.21 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.45 HD12 HG22 ' A' ' 5' ' ' ILE . 36.0 mm -113.71 91.52 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 39.2 mmtt -131.82 154.35 81.74 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.88 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.2 -29.52 11.47 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 121.926 1.751 . . . . 0.0 110.84 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.648 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.2 m-30 -97.83 56.16 1.24 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.658 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -75.68 138.05 41.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.309 -177.285 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 10.6 t -81.86 128.53 34.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.632 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.33 32.64 1.03 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.992 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 1.007 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.0 t-105 -90.59 129.44 44.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 45.3 Cg_exo -61.28 -58.44 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.767 2.311 . . . . 0.0 113.237 -174.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.31 -34.7 75.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.076 0.465 . . . . 0.0 110.76 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 1.007 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 2.8 t -75.75 -73.07 0.28 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.049 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 61.99 59.98 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 110.787 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -99.86 170.54 8.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.76 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -146.88 129.87 16.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.648 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -123.97 168.2 13.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.419 0.628 . . . . 0.0 112.227 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.29 -8.1 8.7 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.265 169.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.594 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.3 114.97 29.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.604 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -25.05 60.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.86 0.362 . . . . 0.0 111.74 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -3.86 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.445 0.64 . . . . 0.0 110.228 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.22 -51.82 3.56 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 118.644 -1.223 . . . . 0.0 111.526 175.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.617 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.32 -18.31 65.28 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.707 178.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -48.64 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.259 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 24' ' ' HIS . 1.7 pp -72.87 -33.84 66.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.058 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.1 t60 -59.54 -36.13 75.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.677 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.8 mtp180 -83.87 -28.39 28.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.461 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -42.02 87.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.746 0.308 . . . . 0.0 110.776 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.62 -6.44 53.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -69.36 -39.47 78.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.8 ptp -88.09 12.5 13.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.537 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.38 55.8 0.8 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.862 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.703 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.86 135.94 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 174.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.32 115.45 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.149 0.5 . . . . 0.0 111.878 -175.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.08 -35.47 5.04 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.86 97.4 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 28.1 mttp -77.88 141.94 64.41 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.28 -172.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.9 -21.38 18.61 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.033 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.624 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 m-30 -99.78 54.16 0.93 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.972 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.23 138.9 36.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.117 -177.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.4 t -74.11 124.02 25.51 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.413 176.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.61 21.72 2.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.005 -175.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.788 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.9 t-105 -84.4 119.02 72.54 Favored Pre-proline 0 C--N 1.331 -0.204 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -59.25 -44.9 30.33 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.886 2.39 . . . . 0.0 113.55 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.36 -13.36 60.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 110.824 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 40.6 t -101.31 -73.54 0.65 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.961 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t0 64.42 59.68 0.98 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 172.65 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.784 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.668 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 10.4 p -147.41 131.68 17.48 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.737 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 85.0 m-85 -130.49 -178.89 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.2 0.524 . . . . 0.0 111.215 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.16 -2.49 4.52 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.85 172.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 123.6 47.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.556 -179.251 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -14.52 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -175.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.488 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 6.0 t70 -111.56 -16.66 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.567 0.699 . . . . 0.0 109.847 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.92 -37.69 17.39 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.683 -1.207 . . . . 0.0 110.69 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.35 -17.13 52.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.35 173.323 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.49 61.52 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.969 168.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 mt -66.13 -41.88 89.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.324 0.583 . . . . 0.0 109.971 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 7.3 t60 -61.84 -36.25 80.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.286 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.598 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -82.32 -22.29 35.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.703 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -65.48 -38.51 90.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.474 177.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -72.24 -14.97 61.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.978 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.598 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 12.0 m-70 -71.97 -34.79 69.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.545 0.688 . . . . 0.0 109.853 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.5 mtm -81.15 -18.02 47.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.2 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 57.43 55.14 5.95 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.339 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.8 -177.733 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.71 -5.52 59.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.167 0.508 . . . . 0.0 110.262 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.0 119.85 10.89 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.512 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.2 32.46 3.11 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.704 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.4 mt -99.26 130.17 48.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.865 0.364 . . . . 0.0 110.226 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -120.59 152.94 56.25 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.855 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.58 -23.43 23.22 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.964 1.776 . . . . 0.0 110.561 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.697 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.7 m-30 -101.33 47.72 0.9 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.357 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.4 tp60 -75.13 134.2 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.151 -178.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.648 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 1.6 t -73.26 126.53 30.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.9 19.3 3.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.983 -174.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.963 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -77.96 129.7 75.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 34.2 Cg_exo -63.11 -54.77 0.96 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.937 2.425 . . . . 0.0 112.794 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.73 -24.96 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.358 0.599 . . . . 0.0 111.157 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.963 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 39.1 t -89.08 -69.65 0.7 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.97 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t0 59.52 65.51 1.15 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.965 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.813 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 1.5 mpt_? -100.52 172.98 6.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.023 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.611 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -148.25 126.4 12.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.742 0.306 . . . . 0.0 110.221 -179.454 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.697 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.3 m-85 -122.19 167.67 12.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.275 0.56 . . . . 0.0 111.402 -174.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -5.96 10.87 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 171.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.54 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 125.31 48.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.74 -177.308 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -80.79 -24.07 38.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.27 -5.92 22.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.829 0.824 . . . . 0.0 109.985 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.54 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.29 -42.64 9.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.096 177.123 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -77.22 -23.53 51.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.474 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -70.05 -41.98 73.46 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.628 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.73 -30.56 56.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 177.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.548 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 27.9 t60 -60.76 -35.14 75.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.485 174.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -86.53 -12.09 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -77.34 -46.38 23.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.387 176.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -15.13 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -47.95 81.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.725 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.1 ptm -88.94 8.54 28.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.99 55.23 6.26 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.349 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.411 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.73 6.08 16.51 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 102.46 6.99 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.01 -10.12 30.82 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.575 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.74 107.71 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.052 0.453 . . . . 0.0 110.274 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 22.7 mmtt -126.73 152.82 75.46 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.323 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.98 -28.95 8.76 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.231 1.954 . . . . 0.0 111.027 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.2 m-30 -97.0 53.54 1.2 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.996 177.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.675 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.17 141.46 35.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.319 -176.161 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 2.5 t -81.22 121.32 26.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.95 25.55 2.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.954 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.8 t-105 -77.1 131.26 73.07 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 176.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 72.7 Cg_exo -58.17 -54.19 3.39 Favored 'Trans proline' 0 N--CA 1.474 0.331 0 C-N-CA 123.048 2.498 . . . . 0.0 113.889 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.71 -15.05 50.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 111.164 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.943 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.3 t -92.69 -74.07 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.898 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.13 64.75 1.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.451 0.644 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.94 175.95 6.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.32 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.675 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.37 127.09 8.8 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.521 -177.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 29.9 m-85 -124.9 172.78 9.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.087 0.47 . . . . 0.0 111.129 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 -14.0 7.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.997 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.649 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.47 129.57 47.55 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.811 179.51 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -26.41 46.87 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.748 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 t70 -86.37 -8.34 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.714 0.768 . . . . 0.0 110.113 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.649 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -100.76 -40.37 7.37 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 118.675 -1.21 . . . . 0.0 111.364 -178.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.545 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -78.37 -17.75 56.04 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 176.603 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.04 -36.47 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.085 -0.384 . . . . 0.0 110.209 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.64 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.7 mt -67.93 -49.17 63.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 109.308 175.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -56.97 -43.46 81.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.306 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.9 mtp180 -79.08 -25.01 43.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.829 -175.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.64 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.94 -26.6 57.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.224 0.535 . . . . 0.0 109.685 175.498 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.97 -19.63 61.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.582 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m-70 -74.94 -47.99 26.83 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.272 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -72.22 -16.4 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.954 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.71 72.82 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.193 0.521 . . . . 0.0 110.443 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.591 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.26 134.42 38.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.26 48.75 0.92 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.956 0.408 . . . . 0.0 110.977 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.0 -29.83 45.05 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.097 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.0 mt -80.65 117.35 26.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.908 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.6 OUTLIER -108.47 144.76 30.16 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.321 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -74.95 -31.95 5.86 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.215 1.944 . . . . 0.0 111.087 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.6 m-30 -92.38 47.54 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.247 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.711 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.5 tt0 -77.37 134.21 38.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.07 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.7 t -74.62 128.73 36.27 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 11.67 22.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.992 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.944 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -70.29 126.53 92.37 Favored Pre-proline 0 C--N 1.33 -0.251 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.411 178.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -58.84 -56.48 1.41 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.18 2.586 . . . . 0.0 113.745 -173.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -4.66 51.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.168 0.509 . . . . 0.0 111.069 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.944 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.2 t -100.15 -73.73 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.259 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t0 65.7 57.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.559 0.695 . . . . 0.0 110.773 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.588 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.578 177.395 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.908 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -153.18 129.5 10.54 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.211 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 79.9 m-85 -128.38 174.02 9.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.914 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -5.49 5.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.625 168.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.785 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.45 125.45 49.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.457 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.551 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -75.86 -26.18 56.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.968 -178.146 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -19.52 28.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.907 0.861 . . . . 0.0 109.75 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.785 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -84.72 -46.33 11.55 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.991 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -77.84 -17.02 57.86 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.688 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -75.41 -43.64 48.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.904 172.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -73.74 -37.33 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.113 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.442 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 20.7 t60 -61.6 -33.05 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.197 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.4 mtp180 -87.57 -31.37 19.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.795 -176.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -67.7 -31.01 70.67 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.528 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -78.6 -10.18 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 m-70 -73.57 -32.14 63.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.416 0.627 . . . . 0.0 109.37 175.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.58 ' HE3' ' HA ' ' A' ' 30' ' ' LYS . 6.6 mtt -79.33 -20.78 47.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.993 -177.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 tp -132.92 87.08 2.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.174 -176.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.94 146.56 35.01 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.47 129.4 35.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.996 0.427 . . . . 0.0 110.811 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.39 -22.6 47.06 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 175.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.3 132.71 31.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.625 -0.788 . . . . 0.0 109.725 174.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -88.96 141.46 29.59 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -175.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -79.86 -29.37 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.749 2.3 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.455 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 3.8 m-30 -93.74 57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.643 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -71.68 133.47 45.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.033 -175.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -74.89 127.6 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.372 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.34 30.56 2.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.047 -175.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.833 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -88.14 129.71 48.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -58.79 -61.14 0.27 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.813 2.342 . . . . 0.0 113.319 -173.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -32.02 73.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.235 0.541 . . . . 0.0 111.191 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.833 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 42.4 t -76.94 -68.59 0.59 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.065 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 59.36 62.87 1.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.831 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -101.16 178.96 4.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.643 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -155.94 128.12 7.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.206 -178.18 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.605 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.8 m-85 -127.15 170.52 12.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.594 0.712 . . . . 0.0 111.957 -174.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.41 -5.69 5.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.619 172.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.682 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.04 116.19 32.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.557 -1.202 . . . . 0.0 110.356 -178.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -19.49 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.93 -12.58 23.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.715 0.769 . . . . 0.0 109.871 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.682 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -96.24 -44.37 7.3 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.485 -178.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -73.4 -14.68 61.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.605 176.042 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.89 -47.48 45.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 0.0 111.075 173.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 HD22 ' O ' ' A' ' 23' ' ' ASP . 3.2 pp -73.44 -34.97 65.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.4 t60 -59.0 -33.84 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.932 175.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.7 mtp180 -90.17 -26.61 20.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.567 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -43.32 79.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.704 0.288 . . . . 0.0 110.484 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -10.38 59.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -65.64 -44.41 86.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.554 177.674 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -85.1 8.73 17.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.097 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.2 55.1 0.66 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.341 0.591 . . . . 0.0 110.251 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' H ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.471 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.01 150.57 35.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.76 0.314 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.08 138.58 58.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.91 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.09 -45.99 5.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.474 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 mt -68.64 120.93 16.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.921 0.391 . . . . 0.0 109.98 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.682 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.7 OUTLIER -79.46 147.64 68.47 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.877 -176.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -69.87 -33.05 16.94 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.8 2.334 . . . . 0.0 110.937 177.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.586 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.1 m-30 -96.11 47.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.508 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.67 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.66 142.76 49.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.666 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 5.6 t -82.54 128.44 34.3 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.28 22.3 4.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.902 -175.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 1.006 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.6 t-105 -78.85 132.08 65.33 Favored Pre-proline 0 C--N 1.326 -0.441 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.248 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 53.5 Cg_exo -57.1 -61.25 0.32 Allowed 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.035 2.49 . . . . 0.0 113.408 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -14.38 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 111.239 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 1.006 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.2 t -93.13 -73.35 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.92 56.97 2.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.534 0.683 . . . . 0.0 110.742 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 174.79 7.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.628 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.682 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -149.47 126.31 11.14 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -177.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.1 m-85 -126.87 169.12 13.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 112.454 -172.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 m -125.03 -9.5 7.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.96 171.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -101.46 120.25 40.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.927 179.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.438 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -73.2 -22.63 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.48 -8.56 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.004 0.907 . . . . 0.0 109.954 -178.263 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.526 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -99.96 -43.11 6.49 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.477 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -74.09 -20.47 60.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.818 175.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' O ' ' HD3' ' A' ' 30' ' ' LYS . . . -71.18 -44.27 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.943 -0.473 . . . . 0.0 110.322 171.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 8.7 mt -65.6 -46.47 79.22 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.381 0.61 . . . . 0.0 109.818 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t60 -56.42 -40.03 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.77 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.607 HH21 ' HE3' ' A' ' 12' ' ' TRP . 10.8 mtp180 -81.98 -26.74 33.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.422 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -70.19 -39.82 75.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.281 0.562 . . . . 0.0 109.724 176.534 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.509 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.98 -13.06 62.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.261 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.5 m-70 -70.36 -25.87 63.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.338 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.2 mtm -66.77 -34.96 78.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.133 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 56.6 49.15 15.16 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.417 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.804 178.183 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.11 103.8 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.23 130.08 41.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.021 0.439 . . . . 0.0 111.576 -177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.76 -22.88 10.5 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.8 mm -100.16 110.77 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.02 0.438 . . . . 0.0 110.291 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.681 ' HD3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER -118.93 147.1 41.7 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.08 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -75.61 -27.72 8.81 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.394 2.063 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.673 ' HB3' HD21 ' A' ' 25' ' ' LEU . 3.1 m-30 -103.24 55.09 0.75 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.48 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 2.0 tt0 -75.13 120.88 21.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.072 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.65 129.31 39.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.66 28.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.859 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -92.33 127.07 50.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 54.1 Cg_exo -59.39 -63.5 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.939 2.426 . . . . 0.0 113.534 -172.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.955 0.407 . . . . 0.0 110.956 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.859 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 46.2 t -62.46 -60.94 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.899 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 59.93 59.28 2.49 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.424 0.63 . . . . 0.0 110.841 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 167.76 9.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.036 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.681 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 1.4 p -153.4 128.68 9.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 80.8 m-85 -123.9 155.16 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.344 0.592 . . . . 0.0 112.301 -172.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -6.97 11.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.262 168.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.11 113.51 26.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.969 178.02 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -66.51 -34.57 78.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.389 . . . . 0.0 111.607 -177.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -11.77 59.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 110.771 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -92.61 -50.23 5.7 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.729 176.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.39 -25.56 63.3 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -70.92 -39.17 72.86 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.098 175.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' CD2' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -79.81 -35.1 38.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 178.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 22.4 t60 -58.84 -34.43 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.24 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.587 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -84.65 -27.64 26.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.366 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -36.25 76.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.859 177.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -91.0 13.28 17.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.153 0.502 . . . . 0.0 110.616 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.09 1.3 53.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 47.7 mtm -72.69 -26.57 61.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -138.6 8.42 2.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.402 0.62 . . . . 0.0 111.395 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.235 173.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -75.22 100.39 4.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.115 0.483 . . . . 0.0 110.655 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.88 121.83 27.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.064 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.84 -26.13 8.14 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.55 111.17 26.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.951 0.405 . . . . 0.0 110.032 177.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.874 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 7.0 mttp -102.64 142.61 24.93 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.494 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.71 -28.99 9.24 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.276 1.984 . . . . 0.0 111.202 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.2 m-30 -93.3 50.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.621 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -72.1 133.51 45.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.1 t -71.78 130.81 42.0 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.37 16.1 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.827 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t-105 -83.21 122.17 77.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.846 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 33.4 Cg_exo -62.57 -48.31 7.62 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.986 2.457 . . . . 0.0 113.002 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.86 -17.99 64.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.264 0.554 . . . . 0.0 110.991 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.827 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.8 t -100.04 -67.66 0.84 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.601 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.92 63.28 0.83 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.454 0.645 . . . . 0.0 111.14 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -100.77 175.16 5.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.195 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.874 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -152.44 125.28 8.45 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -178.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.612 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 65.8 m-85 -123.15 166.3 15.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.488 0.661 . . . . 0.0 112.741 -170.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 -12.47 9.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.773 170.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.779 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.32 122.33 43.51 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.577 -179.606 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -27.48 63.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.88 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' O ' HD22 ' A' ' 27' ' ' LEU . 36.8 t70 -90.6 -7.36 52.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.742 0.782 . . . . 0.0 110.182 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -93.91 -44.47 8.07 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.879 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -76.46 -4.02 40.32 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 175.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.49 -48.95 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.817 -0.552 . . . . 0.0 110.791 170.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 23' ' ' ASP . 1.4 pp -72.82 -36.61 67.56 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.568 HH21 ' HE3' ' A' ' 12' ' ' TRP . 13.7 mtp180 -85.25 -23.87 28.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.253 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -42.17 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 109.856 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -74.31 -3.31 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.641 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.9 m-70 -75.14 -27.54 59.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.9 mtp -76.4 -14.63 60.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.76 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.01 54.12 10.16 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.365 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.121 -0.943 . . . . 0.0 110.165 177.253 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -41.65 20.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.017 0.436 . . . . 0.0 110.618 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.5 137.35 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.469 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.38 -12.88 62.42 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.834 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.61 105.72 3.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.96 143.2 28.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -175.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.48 -23.97 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.728 2.286 . . . . 0.0 111.363 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB3' HD21 ' A' ' 25' ' ' LEU . 3.6 m-30 -101.46 47.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.532 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.727 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -71.36 135.66 47.43 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 43.0 t -74.91 112.51 11.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 32.44 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.286 -176.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.912 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -87.53 121.29 71.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.552 174.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.5 -25.91 29.31 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.438 2.092 . . . . 0.0 112.778 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -88.29 -23.04 23.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.464 0.649 . . . . 0.0 110.39 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.912 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.1 t -100.29 -66.46 0.91 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.106 -176.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 67.18 58.56 0.55 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.448 0.642 . . . . 0.0 111.256 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -100.97 175.91 5.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.042 178.104 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.727 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.02 129.68 10.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.633 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 60.4 m-85 -124.64 165.35 18.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.694 0.759 . . . . 0.0 112.759 -172.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -17.24 10.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.269 -1.332 . . . . 0.0 108.55 172.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.658 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.05 119.86 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.563 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -25.98 59.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.653 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -12.93 53.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.974 0.892 . . . . 0.0 109.689 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -95.78 -45.33 7.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.159 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.59 -20.24 60.66 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.423 176.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -71.07 -46.43 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.71 173.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -34.95 64.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -63.36 -36.88 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.582 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -78.22 -26.37 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.822 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -66.47 -30.86 71.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.047 0.451 . . . . 0.0 109.866 174.612 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 -70.15 -16.45 63.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.021 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 38.7 m-70 -83.15 -45.11 14.32 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.492 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.4 ptm -81.81 -22.27 37.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.026 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.57 67.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.354 0.597 . . . . 0.0 109.902 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.241 179.626 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.09 77.22 9.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.237 0.541 . . . . 0.0 111.027 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.11 33.83 0.45 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.129 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.82 -22.49 30.65 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.04 131.21 35.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.314 -0.443 . . . . 0.0 109.822 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 2.6 mmmt -94.36 142.16 24.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 121.25 0.547 . . . . 0.0 110.674 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -73.27 -33.53 7.09 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.327 2.685 . . . . 0.0 111.819 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.5 m-30 -92.85 46.6 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.67 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -68.61 138.09 54.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.167 -178.33 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 40.1 t -79.62 120.71 24.33 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.29 34.25 0.51 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.433 -176.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.99 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.5 t-105 -91.76 134.66 28.69 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 39.5 Cg_exo -66.8 -57.88 0.18 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.726 2.284 . . . . 0.0 112.764 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -29.05 66.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.217 0.532 . . . . 0.0 110.689 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.99 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.6 t -81.25 -74.95 0.3 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.01 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 66.45 44.04 2.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.5 0.667 . . . . 0.0 111.041 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -84.5 170.77 13.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.143 178.632 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.67 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -144.33 127.01 16.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.291 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.662 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 50.1 m-85 -122.49 173.44 7.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.695 0.76 . . . . 0.0 112.591 -171.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.09 -7.02 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.225 173.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' CB ' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.66 122.87 44.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.145 176.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.493 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -70.04 -26.93 64.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.268 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -98.38 -18.91 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.627 0.727 . . . . 0.0 110.418 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.585 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.76 -41.06 27.38 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.893 -1.123 . . . . 0.0 110.549 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.662 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -81.27 -14.55 57.28 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.91 177.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 22' ' ' SER . . . -76.73 -42.93 39.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.039 -0.413 . . . . 0.0 111.074 173.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -78.11 -31.57 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.383 . . . . 0.0 110.102 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 19.1 t60 -63.78 -33.0 74.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.943 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -91.06 -15.81 28.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.288 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.54 -27.17 41.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.303 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -24.74 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.455 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.552 ' HB3' ' CZ2' ' A' ' 12' ' ' TRP . 2.7 m-70 -61.78 -43.48 98.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.527 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -73.56 -1.03 17.0 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.878 -173.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 57.64 52.1 8.7 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.991 174.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.707 175.734 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.01 163.68 25.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.595 0.236 . . . . 0.0 110.396 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.12 77.24 8.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.371 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.51 1.81 6.51 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.21 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mt -81.94 69.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.782 0.801 . . . . 0.0 110.169 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.878 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 1.8 mmtm -103.9 151.35 38.87 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.534 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.46 -26.03 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.203 1.936 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.2 m-30 -96.1 46.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.251 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.648 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.2 141.95 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 32.2 t -87.26 116.8 25.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.5 t -86.55 23.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.839 -175.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.954 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 3.2 t-105 -75.34 121.01 84.3 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.94 -44.18 37.42 Favored 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 122.756 2.304 . . . . 0.0 113.29 -173.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -77.99 -16.53 58.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.611 0.719 . . . . 0.0 110.613 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.954 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.9 t -99.1 -71.74 0.68 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.584 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t0 64.48 57.8 1.12 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 110.61 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.65 177.04 5.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.908 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.878 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 1.3 p -154.73 125.6 7.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.425 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 62.6 m-85 -123.96 164.05 20.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.456 0.646 . . . . 0.0 112.004 -174.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.17 -15.23 9.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.141 171.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.54 118.59 37.27 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.644 178.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -68.59 -32.73 72.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.147 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -7.63 56.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.014 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -99.47 -46.43 5.48 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 118.664 -1.215 . . . . 0.0 111.466 176.213 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.93 -21.4 60.06 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' SER . . . -74.67 -37.24 62.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.727 -0.608 . . . . 0.0 111.052 174.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.733 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.11 -36.52 35.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.239 0.542 . . . . 0.0 109.872 178.006 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -63.07 -30.95 72.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.482 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.5 mtp180 -90.23 -24.06 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.749 -176.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.733 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.05 -30.21 63.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.526 179.593 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -82.34 -9.3 59.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.121 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.8 m-70 -70.17 -31.2 68.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.16 0.505 . . . . 0.0 110.554 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' A' ' 30' ' ' LYS . 10.4 mtt -70.81 -26.33 63.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.048 -175.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.77 58.28 2.43 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.682 0.614 . . . . 0.0 110.995 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.276 178.514 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.61 83.18 6.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.157 0.503 . . . . 0.0 110.243 178.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.48 44.95 1.0 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.325 0.583 . . . . 0.0 110.42 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.32 1.17 34.93 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.145 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mm -81.02 111.71 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.927 0.394 . . . . 0.0 110.108 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.817 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 8.5 mmtt -128.44 153.33 79.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.186 -176.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.68 -27.97 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.266 1.977 . . . . 0.0 111.352 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.647 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.5 m-30 -92.79 54.99 2.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.135 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.553 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -73.53 138.51 45.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.38 -176.518 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.3 t -80.69 115.99 20.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 174.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.95 29.24 0.47 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.79 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.879 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -87.47 125.02 66.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 173.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -66.81 -45.46 4.39 Favored 'Trans proline' 0 N--CA 1.473 0.275 0 C-N-CA 122.901 2.4 . . . . 0.0 112.713 -173.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -22.11 62.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.667 0.746 . . . . 0.0 110.874 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.879 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 4.3 t -97.44 -68.78 0.78 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.396 -176.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.06 55.98 1.86 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.825 0.822 . . . . 0.0 111.189 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.73 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 6.2 mpt_? -97.67 173.55 7.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.313 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.817 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 57.8 m -158.98 132.17 7.18 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.647 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 66.2 m-85 -123.75 174.12 7.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.409 0.623 . . . . 0.0 112.168 -172.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -5.03 9.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.156 170.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.586 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -102.57 122.02 43.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.394 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -19.14 58.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.64 -19.32 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.848 0.832 . . . . 0.0 109.599 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -80.59 -40.02 26.52 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.495 179.181 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -82.86 -7.06 59.69 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.97 175.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.31 16.42 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.833 -0.542 . . . . 0.0 110.451 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 24' ' ' HIS . 2.4 pp -74.3 -37.79 63.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.967 0.413 . . . . 0.0 110.011 177.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 40.1 t60 -58.24 -36.94 73.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.178 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.491 HH21 ' HE3' ' A' ' 12' ' ' TRP . 3.6 mtp180 -82.85 -20.5 35.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.85 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -35.75 64.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.45 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -20.93 66.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.816 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 17.4 m-70 -71.85 -42.63 66.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.946 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -92.77 -16.77 25.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.501 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.71 60.94 1.85 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.125 0.488 . . . . 0.0 110.7 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.894 179.238 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.07 45.76 1.02 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.275 0.559 . . . . 0.0 110.68 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.15 76.62 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.351 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.33 -35.41 8.77 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.447 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.39 137.37 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.548 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 3.2 mmtp -107.13 156.65 37.12 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.744 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -67.69 -27.77 37.98 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.0 1.8 . . . . 0.0 110.038 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.683 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.7 m-30 -94.34 52.86 1.62 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.371 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.51 ' OE1' ' HB3' ' A' ' 18' ' ' SER . 4.4 tp60 -78.56 127.87 32.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.429 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.574 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 19.5 t -67.4 128.57 36.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.579 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.34 14.81 7.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.159 -175.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.973 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -76.52 127.93 83.34 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.852 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -60.66 -52.82 3.31 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.965 2.443 . . . . 0.0 113.268 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -77.29 -15.13 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.296 0.569 . . . . 0.0 110.893 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.973 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 37.9 t -94.99 -75.99 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.884 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.22 66.48 0.95 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.76 170.6 9.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.113 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.548 ' HB2' ' CG ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -143.44 126.25 16.15 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.28 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.683 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.1 m-85 -122.56 155.47 36.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.325 0.583 . . . . 0.0 112.16 -173.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -15.47 15.1 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.713 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.794 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.66 121.74 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.999 -178.169 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.79 62.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.082 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' O ' HD21 ' A' ' 27' ' ' LEU . 36.3 t70 -85.57 -6.76 59.13 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.79 0.805 . . . . 0.0 110.348 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.794 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -95.36 -45.61 7.06 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.048 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.677 HD23 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.61 -24.68 60.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.448 177.371 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.48 -42.78 74.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.934 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.741 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -77.36 -37.0 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.179 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.2 t60 -58.69 -36.63 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.146 176.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.561 ' HA ' ' HD2' ' A' ' 32' ' ' HIS . 4.6 mtp180 -81.01 -31.28 34.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.894 -176.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.741 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.22 -30.0 60.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.143 0.497 . . . . 0.0 109.951 177.016 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -68.89 -21.21 64.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.874 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.561 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.2 m-70 -64.75 -30.04 71.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.955 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.92 -6.61 53.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.625 -176.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -103.77 29.16 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.4 -179.045 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.775 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.24 -29.07 10.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.281 1.987 . . . . 0.0 111.091 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.861 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.7 m-30 -91.86 50.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.415 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.9 tp60 -77.31 126.19 30.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.613 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -68.0 127.96 34.78 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.786 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.57 27.36 1.75 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.941 -174.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -91.62 121.87 66.6 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.459 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -64.22 -48.88 4.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.986 2.457 . . . . 0.0 113.35 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -16.92 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.13 0.491 . . . . 0.0 110.811 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.807 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 48.4 t -88.6 -59.7 2.16 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.742 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.89 53.13 2.48 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.296 0.569 . . . . 0.0 111.209 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -100.78 157.71 16.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.529 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.775 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -146.66 128.87 15.7 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.41 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 64.6 m-85 -119.93 166.46 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -170.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -14.7 8.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.859 172.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.23 119.32 38.61 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.736 -179.435 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.4 61.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 0.0 111.28 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -87.48 -7.59 57.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.604 0.716 . . . . 0.0 110.231 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.656 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -101.92 -42.97 5.94 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.323 -1.351 . . . . 0.0 111.204 178.25 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.861 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.15 -21.16 60.76 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.316 177.177 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.42 72.64 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.204 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.31 -33.08 64.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.323 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 26.2 t60 -61.54 -32.94 73.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.808 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 10.8 mtp180 -86.85 -33.28 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.242 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -40.45 94.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.366 . . . . 0.0 110.588 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -17.99 60.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.409 0.623 . . . . 0.0 110.331 177.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.632 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 3.5 mmtp . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.962 0.41 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 4.5 Cg_exo -72.7 -24.78 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.089 2.526 . . . . 0.0 111.126 175.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.655 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -92.16 47.17 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -75.78 141.86 42.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.321 -177.782 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 37.1 t -80.34 122.76 27.32 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 22.0 1.42 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.977 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.969 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.3 t-105 -78.97 118.7 73.97 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -60.86 -38.24 71.55 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.828 2.352 . . . . 0.0 112.86 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -37.29 44.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.251 0.548 . . . . 0.0 110.511 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.969 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -81.54 -66.98 0.82 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.737 -174.333 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.61 54.32 1.45 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.348 0.594 . . . . 0.0 111.641 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.885 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.8 mpt_? -90.54 169.11 11.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.18 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.632 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -146.26 129.43 16.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.691 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.655 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 35.7 m-85 -124.19 173.65 8.19 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.19 0.519 . . . . 0.0 111.831 -173.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.02 -13.08 7.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.111 170.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 2.1 mtm-85 -102.41 123.03 45.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.363 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -22.99 59.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.733 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -92.55 -3.36 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.692 0.758 . . . . 0.0 110.28 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.783 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -102.19 -46.34 4.86 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.687 -1.205 . . . . 0.0 111.296 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.581 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -73.15 -18.35 61.28 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.046 178.271 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.51 -41.68 62.75 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.557 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 9.0 mt -72.47 -43.59 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.856 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.73 -38.2 77.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.464 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 7.7 mtp180 -76.87 -29.67 55.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -32.93 71.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.202 0.525 . . . . 0.0 109.855 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -74.96 -5.07 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.425 178.415 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 11.1 m-70 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 109.544 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.758 0.313 . . . . 0.0 110.507 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -75.08 -33.0 4.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.518 2.145 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.7 m-30 -87.91 54.97 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.602 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -74.28 133.26 42.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.787 -178.506 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 39.8 t -72.43 120.87 18.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.41 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 31.55 0.46 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.502 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 1.033 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -92.15 125.41 56.73 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 22.3 Cg_exo -69.12 -38.19 9.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.58 -19.56 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.381 0.61 . . . . 0.0 110.745 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.033 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.9 t -101.16 -68.92 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.346 -176.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.76 54.64 0.81 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.511 0.672 . . . . 0.0 111.378 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -94.8 172.04 8.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.088 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.866 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.36 126.38 10.52 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.389 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 58.3 m-85 -121.59 170.8 9.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.614 0.721 . . . . 0.0 112.502 -171.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -13.44 7.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.851 171.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.863 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.84 123.67 46.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.65 178.655 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -28.99 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.08 -17.31 43.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.727 0.775 . . . . 0.0 109.962 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -88.19 -45.63 9.94 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.418 179.378 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.754 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -75.81 -13.09 60.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.825 177.698 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.003 171.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.6 pp -72.22 -35.08 68.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.084 0.469 . . . . 0.0 110.401 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -62.93 -37.15 85.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.807 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.698 HH21 ' HE3' ' A' ' 12' ' ' TRP . 4.3 mtp180 -79.72 -30.56 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.374 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.45 79.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -24.44 64.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.217 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.545 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 10.8 m-70 . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 121.112 0.482 . . . . 0.0 111.117 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.777 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.98 -19.96 19.97 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.113 1.875 . . . . 0.0 111.203 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.67 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -106.14 49.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.065 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -73.99 139.74 45.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.722 -176.309 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 7.4 t -77.27 122.72 25.47 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.25 25.1 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.712 -175.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.992 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.9 t-105 -79.99 126.06 80.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 42.6 Cg_exo -63.15 -45.57 12.11 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.77 2.313 . . . . 0.0 113.161 -173.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -18.08 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.965 0.412 . . . . 0.0 111.115 -176.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.5 t -94.83 -68.69 0.79 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.778 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 61.83 57.58 2.14 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 111.027 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.705 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.2 mpt_? -94.82 169.22 10.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.591 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.777 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -142.72 126.93 17.53 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.992 -0.443 . . . . 0.0 110.579 -177.733 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 77.5 m-85 -123.22 169.96 10.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.346 0.594 . . . . 0.0 111.94 -174.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.41 -8.67 8.06 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.031 172.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 128.5 50.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.022 -176.336 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -20.56 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.23 -22.11 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.745 0.783 . . . . 0.0 109.586 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -79.12 -44.0 22.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.689 177.422 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -79.37 -4.72 52.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.287 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.78 -48.7 9.13 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.519 -0.738 . . . . 0.0 110.668 170.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -34.9 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.729 0.3 . . . . 0.0 110.837 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.35 -36.17 79.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 109.886 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.783 HH21 ' HE3' ' A' ' 12' ' ' TRP . 5.9 mtp180 -81.47 -20.96 39.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.245 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -38.41 72.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -68.68 -11.62 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.336 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 6.8 m-70 . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.283 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.626 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 4.2 mttp . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -75.95 -31.64 4.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.541 2.16 . . . . 0.0 111.592 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.896 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.6 m-30 -88.61 53.49 2.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.277 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -77.77 133.49 38.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.559 -176.019 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.4 t -76.64 121.78 23.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.665 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.54 26.66 1.05 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.134 -174.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 1.042 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.1 t-105 -82.18 134.57 48.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.39 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 38.3 Cg_exo -67.75 -51.43 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.928 2.419 . . . . 0.0 113.216 -174.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -10.8 57.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.478 0.656 . . . . 0.0 110.768 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.042 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 12.8 t -93.42 -66.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.628 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 63.24 54.78 1.99 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.223 0.535 . . . . 0.0 110.968 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.733 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.8 mpt_? -101.43 172.08 7.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.797 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.635 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -152.46 134.57 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 63.2 m-85 -129.93 174.32 9.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.5 0.667 . . . . 0.0 112.172 -173.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.72 -5.17 4.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.85 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.756 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 117.37 34.63 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.447 -179.819 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -18.73 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.855 0.359 . . . . 0.0 111.868 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.69 -9.35 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.598 0.713 . . . . 0.0 110.227 -178.653 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.756 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -101.33 -44.06 5.76 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 118.41 -1.316 . . . . 0.0 111.37 -177.3 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.896 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -72.88 -21.41 60.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 175.78 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -40.73 66.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.411 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 3.0 mt -72.32 -43.75 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.167 0.508 . . . . 0.0 110.099 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 14.6 t60 -57.88 -40.12 79.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.409 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.4 mtp180 -78.35 -27.48 47.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -42.55 93.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -61.95 -22.62 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.272 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 15.5 m-70 . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.561 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 5.8 mmpp? . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.644 0.259 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 2.9 Cg_exo -67.11 -28.97 40.49 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 122.592 2.194 . . . . 0.0 110.51 176.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.78 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -94.91 44.91 1.1 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.364 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.759 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -74.59 127.62 33.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 16.3 t -68.98 121.7 17.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.4 18.49 3.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.904 -175.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.945 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -72.27 127.22 90.57 Favored Pre-proline 0 N--CA 1.453 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -52.74 -59.99 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.493 2.795 . . . . 0.0 113.439 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.22 -39.57 63.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -177.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.945 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 7.7 t -63.56 -73.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.525 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.5 63.59 0.87 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.48 0.657 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.797 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.1 mpt_? -100.35 -178.99 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.814 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.759 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -160.01 130.29 5.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.651 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -125.15 165.18 18.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.368 0.604 . . . . 0.0 112.25 -172.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -115.51 -17.45 11.2 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.596 -1.184 . . . . 0.0 108.834 170.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.642 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -100.71 127.29 47.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 177.029 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -27.88 61.33 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.876 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.7 p-10 -81.32 -5.9 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.276 0.56 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.642 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.18 -50.32 4.0 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.117 177.664 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.84 -14.59 62.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.374 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.7 -43.52 37.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.044 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.1 pp -77.28 -35.48 55.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.21 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 11.7 t60 -61.67 -36.65 81.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.743 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.5 mtp180 -79.97 -23.48 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.88 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -38.64 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.941 0.401 . . . . 0.0 110.102 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -11.87 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.8 m-70 . . . . . 0 N--CA 1.447 -0.601 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.416 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 39.2 mmtt . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.2 -29.52 11.47 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 121.926 1.751 . . . . 0.0 110.84 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.719 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -97.83 56.16 1.24 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.658 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -75.68 138.05 41.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.309 -177.285 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 10.6 t -81.86 128.53 34.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.632 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.33 32.64 1.03 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.992 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 1.013 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.0 t-105 -90.59 129.44 44.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 45.3 Cg_exo -61.28 -58.44 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.767 2.311 . . . . 0.0 113.237 -174.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.31 -34.7 75.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.076 0.465 . . . . 0.0 110.76 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.013 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 2.8 t -75.75 -73.07 0.28 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.049 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 61.99 59.98 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 110.787 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -99.86 170.54 8.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.76 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -146.88 129.87 16.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.384 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.637 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -123.97 168.2 13.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.419 0.628 . . . . 0.0 112.227 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.29 -8.1 8.7 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.265 169.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.636 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.3 114.97 29.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.604 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -25.05 60.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.86 0.362 . . . . 0.0 111.74 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.23 -3.86 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.445 0.64 . . . . 0.0 110.228 -179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -100.22 -51.82 3.56 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 118.644 -1.223 . . . . 0.0 111.526 175.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -66.32 -18.31 65.28 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.707 178.774 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -48.64 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.259 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.7 pp -72.87 -33.84 66.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.058 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.1 t60 -59.54 -36.13 75.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.677 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.8 mtp180 -83.87 -28.39 28.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.461 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -42.02 87.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.746 0.308 . . . . 0.0 110.776 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.62 -6.44 53.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.515 -0.392 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.646 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 28.1 mttp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.9 -21.38 18.61 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.033 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 m-30 -99.78 54.16 0.93 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.972 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.573 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.23 138.9 36.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.117 -177.639 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.4 t -74.11 124.02 25.51 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.413 176.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.61 21.72 2.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.005 -175.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.817 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.9 t-105 -84.4 119.02 72.54 Favored Pre-proline 0 C--N 1.331 -0.204 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -59.25 -44.9 30.33 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.886 2.39 . . . . 0.0 113.55 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.36 -13.36 60.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 110.824 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.817 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 40.6 t -101.31 -73.54 0.65 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.961 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t0 64.42 59.68 0.98 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 172.65 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.784 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.646 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 10.4 p -147.41 131.68 17.48 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.737 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.636 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 85.0 m-85 -130.49 -178.89 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.2 0.524 . . . . 0.0 111.215 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.16 -2.49 4.52 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.85 172.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 123.6 47.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.556 -179.251 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -14.52 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -175.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 6.0 t70 -111.56 -16.66 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.567 0.699 . . . . 0.0 109.847 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.92 -37.69 17.39 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.683 -1.207 . . . . 0.0 110.69 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.636 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.35 -17.13 52.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.35 173.323 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.49 61.52 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.969 168.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.62 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 mt -66.13 -41.88 89.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.324 0.583 . . . . 0.0 109.971 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 7.3 t60 -61.84 -36.25 80.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.286 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -82.32 -22.29 35.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.703 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -65.48 -38.51 90.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.474 177.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -72.24 -14.97 61.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.978 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 12.0 m-70 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.545 0.688 . . . . 0.0 109.853 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD2' ' HD2' ' A' ' 7' ' ' PRO . 22.3 mmtt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD2' ' HD2' ' A' ' 6' ' ' LYS . 57.2 Cg_endo -71.58 -23.43 23.22 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.964 1.776 . . . . 0.0 110.561 176.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.786 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 m-30 -101.33 47.72 0.9 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.357 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.627 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.4 tp60 -75.13 134.2 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.151 -178.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 1.6 t -73.26 126.53 30.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.9 19.3 3.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.983 -174.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 1.009 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -77.96 129.7 75.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 34.2 Cg_exo -63.11 -54.77 0.96 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.937 2.425 . . . . 0.0 112.794 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.73 -24.96 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.358 0.599 . . . . 0.0 111.157 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.009 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 39.1 t -89.08 -69.65 0.7 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.97 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t0 59.52 65.51 1.15 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.965 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.817 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 1.5 mpt_? -100.52 172.98 6.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.023 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.627 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -148.25 126.4 12.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.742 0.306 . . . . 0.0 110.221 -179.454 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.701 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.3 m-85 -122.19 167.67 12.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.275 0.56 . . . . 0.0 111.402 -174.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -5.96 10.87 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 171.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.588 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 125.31 48.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.74 -177.308 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -24.07 38.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.27 -5.92 22.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.829 0.824 . . . . 0.0 109.985 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.29 -42.64 9.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.096 177.123 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.786 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -77.22 -23.53 51.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.474 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -70.05 -41.98 73.46 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.628 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.73 -30.56 56.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 177.535 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.598 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 27.9 t60 -60.76 -35.14 75.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.485 174.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.45 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -86.53 -12.09 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -77.34 -46.38 23.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.387 176.716 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -15.13 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.725 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 22.7 mmtt . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.98 -28.95 8.76 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.231 1.954 . . . . 0.0 111.027 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.64 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -97.0 53.54 1.2 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.996 177.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.17 141.46 35.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.319 -176.161 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 2.5 t -81.22 121.32 26.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.95 25.55 2.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.954 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.975 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.8 t-105 -77.1 131.26 73.07 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 176.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 72.7 Cg_exo -58.17 -54.19 3.39 Favored 'Trans proline' 0 N--CA 1.474 0.331 0 C-N-CA 123.048 2.498 . . . . 0.0 113.889 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.71 -15.05 50.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 111.164 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.975 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.3 t -92.69 -74.07 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.898 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.13 64.75 1.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.451 0.644 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.541 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.94 175.95 6.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.32 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.691 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.37 127.09 8.8 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.521 -177.564 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 29.9 m-85 -124.9 172.78 9.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.087 0.47 . . . . 0.0 111.129 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 -14.0 7.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.997 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.669 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.47 129.57 47.55 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.811 179.51 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -26.41 46.87 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.748 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 t70 -86.37 -8.34 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.714 0.768 . . . . 0.0 110.113 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -100.76 -40.37 7.37 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 118.675 -1.21 . . . . 0.0 111.364 -178.108 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -78.37 -17.75 56.04 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 176.603 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.04 -36.47 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.085 -0.384 . . . . 0.0 110.209 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.657 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.7 mt -67.93 -49.17 63.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 109.308 175.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 55.6 t60 -56.97 -43.46 81.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.9 mtp180 -79.08 -25.01 43.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.829 -175.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.94 -26.6 57.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.224 0.535 . . . . 0.0 109.685 175.498 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.97 -19.63 61.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.582 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m-70 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.272 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.925 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -74.95 -31.95 5.86 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.215 1.944 . . . . 0.0 111.087 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.684 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.6 m-30 -92.38 47.54 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.247 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.743 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.5 tt0 -77.37 134.21 38.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.07 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.7 t -74.62 128.73 36.27 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 11.67 22.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.992 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.976 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -70.29 126.53 92.37 Favored Pre-proline 0 C--N 1.33 -0.251 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.411 178.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -58.84 -56.48 1.41 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.18 2.586 . . . . 0.0 113.745 -173.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -4.66 51.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.168 0.509 . . . . 0.0 111.069 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.976 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.2 t -100.15 -73.73 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.259 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t0 65.7 57.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.559 0.695 . . . . 0.0 110.773 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.611 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.578 177.395 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.925 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -153.18 129.5 10.54 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.211 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 79.9 m-85 -128.38 174.02 9.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.914 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -5.49 5.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.625 168.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.814 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.45 125.45 49.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.457 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -26.18 56.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.968 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -87.34 -19.52 28.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.907 0.861 . . . . 0.0 109.75 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.814 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -84.72 -46.33 11.55 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.991 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -77.84 -17.02 57.86 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.688 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.41 -43.64 48.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.904 172.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -73.74 -37.33 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.113 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.462 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 20.7 t60 -61.6 -33.05 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.197 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.4 mtp180 -87.57 -31.37 19.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.795 -176.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.7 -31.01 70.67 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.528 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 4.9 ptm180 -78.6 -10.18 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 m-70 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 121.416 0.627 . . . . 0.0 109.37 175.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.19 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -79.86 -29.37 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.749 2.3 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.883 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.8 m-30 -93.74 57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.663 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -71.68 133.47 45.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.033 -175.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -74.89 127.6 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.372 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.34 30.56 2.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.047 -175.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.866 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -88.14 129.71 48.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -58.79 -61.14 0.27 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.813 2.342 . . . . 0.0 113.319 -173.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -32.02 73.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.235 0.541 . . . . 0.0 111.191 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.866 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 42.4 t -76.94 -68.59 0.59 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.065 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 59.36 62.87 1.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.84 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -101.16 178.96 4.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -155.94 128.12 7.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.206 -178.18 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.8 m-85 -127.15 170.52 12.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.594 0.712 . . . . 0.0 111.957 -174.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.41 -5.69 5.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.619 172.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.726 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.04 116.19 32.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.557 -1.202 . . . . 0.0 110.356 -178.535 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -19.49 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.93 -12.58 23.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.715 0.769 . . . . 0.0 109.871 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.726 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -96.24 -44.37 7.3 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.485 -178.528 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.4 -14.68 61.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.605 176.042 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.89 -47.48 45.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 0.0 111.075 173.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 24' ' ' HIS . 3.2 pp -73.44 -34.97 65.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.483 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.4 t60 -59.0 -33.84 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.932 175.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.7 mtp180 -90.17 -26.61 20.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.567 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -43.32 79.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.704 0.288 . . . . 0.0 110.484 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -10.38 59.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.554 177.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.717 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.118 0.485 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -69.87 -33.05 16.94 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.8 2.334 . . . . 0.0 110.937 177.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.797 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.1 m-30 -96.11 47.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.508 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.66 142.76 49.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.666 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 5.6 t -82.54 128.44 34.3 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.28 22.3 4.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.902 -175.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 1.028 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.6 t-105 -78.85 132.08 65.33 Favored Pre-proline 0 C--N 1.326 -0.441 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.248 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 53.5 Cg_exo -57.1 -61.25 0.32 Allowed 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.035 2.49 . . . . 0.0 113.408 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -14.38 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 111.239 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.028 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.2 t -93.13 -73.35 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.92 56.97 2.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.534 0.683 . . . . 0.0 110.742 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 174.79 7.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.628 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.717 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -149.47 126.31 11.14 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -177.485 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.632 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.1 m-85 -126.87 169.12 13.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 112.454 -172.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 m -125.03 -9.5 7.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.96 171.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -101.46 120.25 40.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.927 179.672 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -22.63 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.48 -8.56 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.004 0.907 . . . . 0.0 109.954 -178.263 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -99.96 -43.11 6.49 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.477 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -74.09 -20.47 60.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.818 175.79 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HD3' ' A' ' 30' ' ' LYS . . . -71.18 -44.27 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.943 -0.473 . . . . 0.0 110.322 171.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 8.7 mt -65.6 -46.47 79.22 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.381 0.61 . . . . 0.0 109.818 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t60 -56.42 -40.03 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.77 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.621 HH21 ' HE3' ' A' ' 12' ' ' TRP . 10.8 mtp180 -81.98 -26.74 33.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.422 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -70.19 -39.82 75.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.281 0.562 . . . . 0.0 109.724 176.534 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.98 -13.06 62.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.261 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.5 m-70 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.338 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.67 ' HD3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -75.61 -27.72 8.81 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.394 2.063 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 1.047 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.1 m-30 -103.24 55.09 0.75 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.48 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.656 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 2.0 tt0 -75.13 120.88 21.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.072 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.65 129.31 39.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.66 28.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.885 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -92.33 127.07 50.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 54.1 Cg_exo -59.39 -63.5 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.939 2.426 . . . . 0.0 113.534 -172.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.955 0.407 . . . . 0.0 110.956 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.885 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 46.2 t -62.46 -60.94 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.899 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 59.93 59.28 2.49 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.424 0.63 . . . . 0.0 110.841 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 167.76 9.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.036 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.67 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 1.4 p -153.4 128.68 9.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 80.8 m-85 -123.9 155.16 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.344 0.592 . . . . 0.0 112.301 -172.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -6.97 11.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.262 168.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.11 113.51 26.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.969 178.02 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.57 78.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.389 . . . . 0.0 111.607 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -77.07 -11.77 59.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 110.771 -178.404 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -92.61 -50.23 5.7 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.729 176.628 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.047 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.39 -25.56 63.3 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.123 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.17 72.86 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.098 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -79.81 -35.1 38.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 178.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.541 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 22.4 t60 -58.84 -34.43 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.24 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.603 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -84.65 -27.64 26.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.366 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -36.25 76.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.859 177.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -91.0 13.28 17.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.153 0.502 . . . . 0.0 110.616 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.88 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 7.0 mttp . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.517 0.199 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.71 -28.99 9.24 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.276 1.984 . . . . 0.0 111.202 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.793 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.2 m-30 -93.3 50.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.621 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.68 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -72.1 133.51 45.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.1 t -71.78 130.81 42.0 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.37 16.1 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.828 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t-105 -83.21 122.17 77.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.846 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 33.4 Cg_exo -62.57 -48.31 7.62 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.986 2.457 . . . . 0.0 113.002 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.86 -17.99 64.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.264 0.554 . . . . 0.0 110.991 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.828 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.8 t -100.04 -67.66 0.84 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.601 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.92 63.28 0.83 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.454 0.645 . . . . 0.0 111.14 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -100.77 175.16 5.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.195 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.88 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -152.44 125.28 8.45 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -178.437 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.619 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 65.8 m-85 -123.15 166.3 15.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.488 0.661 . . . . 0.0 112.741 -170.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 -12.47 9.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.773 170.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.804 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.32 122.33 43.51 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.577 -179.606 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -27.48 63.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.88 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.473 ' O ' HD23 ' A' ' 27' ' ' LEU . 36.8 t70 -90.6 -7.36 52.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.742 0.782 . . . . 0.0 110.182 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.804 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -93.91 -44.47 8.07 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.879 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.793 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -76.46 -4.02 40.32 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 175.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.49 -48.95 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.817 -0.552 . . . . 0.0 110.791 170.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.4 pp -72.82 -36.61 67.56 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' HIS . 13.6 t60 -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.584 HH21 ' HE3' ' A' ' 12' ' ' TRP . 13.7 mtp180 -85.25 -23.87 28.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.253 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -42.17 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 109.856 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -74.31 -3.31 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.641 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.9 m-70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.933 0.397 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.48 -23.97 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.728 2.286 . . . . 0.0 111.363 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.856 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.6 m-30 -101.46 47.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.532 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.759 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -71.36 135.66 47.43 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 43.0 t -74.91 112.51 11.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 32.44 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.286 -176.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -87.53 121.29 71.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.552 174.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.5 -25.91 29.31 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.438 2.092 . . . . 0.0 112.778 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -88.29 -23.04 23.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.464 0.649 . . . . 0.0 110.39 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.943 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.1 t -100.29 -66.46 0.91 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.106 -176.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 67.18 58.56 0.55 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.448 0.642 . . . . 0.0 111.256 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -100.97 175.91 5.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.042 178.104 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.759 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.02 129.68 10.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 60.4 m-85 -124.64 165.35 18.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.694 0.759 . . . . 0.0 112.759 -172.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -17.24 10.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.269 -1.332 . . . . 0.0 108.55 172.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.688 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.05 119.86 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.563 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -25.98 59.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.653 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -84.26 -12.93 53.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.974 0.892 . . . . 0.0 109.689 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.688 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -95.78 -45.33 7.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.159 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.856 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.59 -20.24 60.66 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.423 176.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -71.07 -46.43 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.71 173.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -74.15 -34.95 64.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 23.6 t60 -63.36 -36.88 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.582 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -78.22 -26.37 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.822 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -66.47 -30.86 71.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.047 0.451 . . . . 0.0 109.866 174.612 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 -70.15 -16.45 63.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.021 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 38.7 m-70 . . . . . 0 N--CA 1.447 -0.597 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.492 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 2.6 mmmt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.25 0.547 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -73.27 -33.53 7.09 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.327 2.685 . . . . 0.0 111.819 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -92.85 46.6 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.697 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -68.61 138.09 54.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.167 -178.33 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 40.1 t -79.62 120.71 24.33 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.29 34.25 0.51 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.433 -176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 1.028 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.5 t-105 -91.76 134.66 28.69 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 39.5 Cg_exo -66.8 -57.88 0.18 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.726 2.284 . . . . 0.0 112.764 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -29.05 66.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.217 0.532 . . . . 0.0 110.689 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.028 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.6 t -81.25 -74.95 0.3 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.01 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 66.45 44.04 2.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.5 0.667 . . . . 0.0 111.041 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -84.5 170.77 13.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.143 178.632 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -144.33 127.01 16.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.291 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 50.1 m-85 -122.49 173.44 7.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.695 0.76 . . . . 0.0 112.591 -171.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.09 -7.02 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.225 173.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.66 122.87 44.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.145 176.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -26.93 64.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' O ' HD23 ' A' ' 27' ' ' LEU . 33.2 t70 -98.38 -18.91 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.627 0.727 . . . . 0.0 110.418 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -79.76 -41.06 27.38 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.893 -1.123 . . . . 0.0 110.549 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.27 -14.55 57.28 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.91 177.129 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.73 -42.93 39.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.039 -0.413 . . . . 0.0 111.074 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -78.11 -31.57 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.383 . . . . 0.0 110.102 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 19.1 t60 -63.78 -33.0 74.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.943 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 mtp180 -91.06 -15.81 28.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.288 -175.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.54 -27.17 41.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.303 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -24.74 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.455 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 12' ' ' TRP . 2.7 m-70 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.527 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.867 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 1.8 mmtm . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.46 -26.03 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.203 1.936 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.726 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -96.1 46.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.251 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.673 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.2 141.95 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 32.2 t -87.26 116.8 25.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.5 t -86.55 23.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.839 -175.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.971 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 3.2 t-105 -75.34 121.01 84.3 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.94 -44.18 37.42 Favored 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 122.756 2.304 . . . . 0.0 113.29 -173.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -77.99 -16.53 58.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.611 0.719 . . . . 0.0 110.613 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.971 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.9 t -99.1 -71.74 0.68 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.584 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t0 64.48 57.8 1.12 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 110.61 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.65 177.04 5.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.908 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.867 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 1.3 p -154.73 125.6 7.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.425 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 62.6 m-85 -123.96 164.05 20.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.456 0.646 . . . . 0.0 112.004 -174.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.17 -15.23 9.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.141 171.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.54 118.59 37.27 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.644 178.653 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -32.73 72.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -7.63 56.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.014 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -99.47 -46.43 5.48 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 118.664 -1.215 . . . . 0.0 111.466 176.213 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.93 -21.4 60.06 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.24 62.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.727 -0.608 . . . . 0.0 111.052 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.761 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.11 -36.52 35.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.239 0.542 . . . . 0.0 109.872 178.006 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.8 t60 -63.07 -30.95 72.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.482 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.5 mtp180 -90.23 -24.06 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.749 -176.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.761 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.05 -30.21 63.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.526 179.593 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -82.34 -9.3 59.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.121 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.8 m-70 . . . . . 0 C--N 1.332 -0.179 0 CA-C-O 121.16 0.505 . . . . 0.0 110.554 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.823 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 8.5 mmtt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.68 -27.97 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.266 1.977 . . . . 0.0 111.352 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.79 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -92.79 54.99 2.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.135 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.582 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -73.53 138.51 45.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.38 -176.518 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.3 t -80.69 115.99 20.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 174.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.95 29.24 0.47 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.79 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.888 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -87.47 125.02 66.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 173.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -66.81 -45.46 4.39 Favored 'Trans proline' 0 N--CA 1.473 0.275 0 C-N-CA 122.901 2.4 . . . . 0.0 112.713 -173.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -22.11 62.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.667 0.746 . . . . 0.0 110.874 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 4.3 t -97.44 -68.78 0.78 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.396 -176.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.06 55.98 1.86 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.825 0.822 . . . . 0.0 111.189 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.735 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 6.2 mpt_? -97.67 173.55 7.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.313 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.823 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 57.8 m -158.98 132.17 7.18 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.646 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 66.2 m-85 -123.75 174.12 7.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.409 0.623 . . . . 0.0 112.168 -172.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -5.03 9.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.156 170.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -102.57 122.02 43.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.394 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -19.14 58.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.64 -19.32 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.848 0.832 . . . . 0.0 109.599 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.628 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -80.59 -40.02 26.52 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.495 179.181 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -82.86 -7.06 59.69 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.97 175.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.31 16.42 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.833 -0.542 . . . . 0.0 110.451 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.3 -37.79 63.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.967 0.413 . . . . 0.0 110.011 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 40.1 t60 -58.24 -36.94 73.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.178 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.501 HH21 ' HE3' ' A' ' 12' ' ' TRP . 3.6 mtp180 -82.85 -20.5 35.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.85 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -35.75 64.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.45 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -20.93 66.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.816 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.492 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 17.4 m-70 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.946 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.565 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 3.2 mmtp . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.587 0.232 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -67.69 -27.77 37.98 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.0 1.8 . . . . 0.0 110.038 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.93 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 m-30 -94.34 52.86 1.62 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.371 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.524 ' OE1' ' HB3' ' A' ' 18' ' ' SER . 4.4 tp60 -78.56 127.87 32.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.429 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.656 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 19.5 t -67.4 128.57 36.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.579 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.34 14.81 7.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.159 -175.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.988 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -76.52 127.93 83.34 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.852 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -60.66 -52.82 3.31 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.965 2.443 . . . . 0.0 113.268 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -77.29 -15.13 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.296 0.569 . . . . 0.0 110.893 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.988 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 37.9 t -94.99 -75.99 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.884 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.22 66.48 0.95 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.656 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.76 170.6 9.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.113 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -143.44 126.25 16.15 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.28 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.678 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.1 m-85 -122.56 155.47 36.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.325 0.583 . . . . 0.0 112.16 -173.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -15.47 15.1 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.713 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.822 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.66 121.74 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.999 -178.169 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.79 62.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.082 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.457 ' O ' HD23 ' A' ' 27' ' ' LEU . 36.3 t70 -85.57 -6.76 59.13 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.79 0.805 . . . . 0.0 110.348 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -95.36 -45.61 7.06 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.048 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.93 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.61 -24.68 60.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.448 177.371 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.48 -42.78 74.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.934 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.779 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -77.36 -37.0 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.179 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.2 t60 -58.69 -36.63 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.146 176.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HA ' ' HD2' ' A' ' 32' ' ' HIS . 4.6 mtp180 -81.01 -31.28 34.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.894 -176.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.779 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.22 -30.0 60.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.143 0.497 . . . . 0.0 109.951 177.016 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -68.89 -21.21 64.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.874 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.2 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.955 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.86 94.62 8.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.52 43.28 2.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.64 -15.72 33.57 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.923 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.71 80.82 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.658 0.742 . . . . 0.0 109.594 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.775 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER -119.18 149.03 46.37 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.723 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.24 -29.07 10.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.281 1.987 . . . . 0.0 111.091 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.861 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.7 m-30 -91.86 50.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.415 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.9 tp60 -77.31 126.19 30.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.613 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -68.0 127.96 34.78 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.57 27.36 1.75 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.941 -174.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -91.62 121.87 66.6 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -64.22 -48.88 4.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.986 2.457 . . . . 0.0 113.35 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -16.92 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.13 0.491 . . . . 0.0 110.811 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.807 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 48.4 t -88.6 -59.7 2.16 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.742 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.89 53.13 2.48 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.296 0.569 . . . . 0.0 111.209 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -100.78 157.71 16.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.529 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.775 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -146.66 128.87 15.7 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 64.6 m-85 -119.93 166.46 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -170.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -14.7 8.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.859 172.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.23 119.32 38.61 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.736 -179.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.4 61.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 0.0 111.28 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -87.48 -7.59 57.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.604 0.716 . . . . 0.0 110.231 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.656 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -101.92 -42.97 5.94 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.323 -1.351 . . . . 0.0 111.204 178.25 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.861 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.15 -21.16 60.76 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.316 177.177 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.42 72.64 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.204 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.31 -33.08 64.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.323 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 26.2 t60 -61.54 -32.94 73.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.808 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 10.8 mtp180 -86.85 -33.28 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.242 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -40.45 94.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.366 . . . . 0.0 110.588 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -17.99 60.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER -67.87 -45.81 73.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.409 0.623 . . . . 0.0 110.331 177.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.8 ptm -88.18 7.39 32.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.394 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.33 59.74 2.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.262 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.919 179.045 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -41.32 37.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.839 0.352 . . . . 0.0 110.511 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.34 87.04 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.326 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.49 -49.79 1.95 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.02 124.21 38.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 171.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.632 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 3.5 mmtp -79.74 143.65 58.86 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 120.962 0.41 . . . . 0.0 111.057 -175.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 4.5 Cg_exo -72.7 -24.78 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.089 2.526 . . . . 0.0 111.126 175.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.655 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -92.16 47.17 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -75.78 141.86 42.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.321 -177.782 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 37.1 t -80.34 122.76 27.32 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 22.0 1.42 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.977 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.969 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.3 t-105 -78.97 118.7 73.97 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -60.86 -38.24 71.55 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.828 2.352 . . . . 0.0 112.86 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -37.29 44.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.251 0.548 . . . . 0.0 110.511 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.969 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -81.54 -66.98 0.82 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.737 -174.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.61 54.32 1.45 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.348 0.594 . . . . 0.0 111.641 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.885 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.8 mpt_? -90.54 169.11 11.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.18 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.632 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -146.26 129.43 16.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.691 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.655 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 35.7 m-85 -124.19 173.65 8.19 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.19 0.519 . . . . 0.0 111.831 -173.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.02 -13.08 7.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.111 170.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 2.1 mtm-85 -102.41 123.03 45.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.363 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -22.99 59.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.733 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -92.55 -3.36 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.692 0.758 . . . . 0.0 110.28 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.783 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -102.19 -46.34 4.86 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.687 -1.205 . . . . 0.0 111.296 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.581 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -73.15 -18.35 61.28 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.046 178.271 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.51 -41.68 62.75 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.557 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 9.0 mt -72.47 -43.59 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.856 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.73 -38.2 77.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.464 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 7.7 mtp180 -76.87 -29.67 55.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -32.93 71.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.202 0.525 . . . . 0.0 109.855 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -74.96 -5.07 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.425 178.415 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 11.1 m-70 -82.01 -53.13 6.38 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 109.544 175.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -28.59 63.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt 54.76 59.0 4.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.06 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.249 1.076 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.677 179.651 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.06 -16.51 22.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.822 0.344 . . . . 0.0 110.731 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -73.51 96.48 2.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.788 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.76 -30.37 0.19 Allowed Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.559 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.6 mt -84.68 129.32 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.823 0.344 . . . . 0.0 110.138 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER -79.75 140.82 55.02 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.507 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -75.08 -33.0 4.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.518 2.145 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.7 m-30 -87.91 54.97 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.602 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -74.28 133.26 42.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.787 -178.506 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 39.8 t -72.43 120.87 18.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.41 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 31.55 0.46 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.502 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 1.033 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -92.15 125.41 56.73 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 22.3 Cg_exo -69.12 -38.19 9.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.58 -19.56 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.381 0.61 . . . . 0.0 110.745 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 1.033 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.9 t -101.16 -68.92 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.346 -176.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.76 54.64 0.81 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.511 0.672 . . . . 0.0 111.378 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -94.8 172.04 8.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.088 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.866 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.36 126.38 10.52 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.389 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 58.3 m-85 -121.59 170.8 9.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.614 0.721 . . . . 0.0 112.502 -171.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -13.44 7.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.851 171.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.863 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.84 123.67 46.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.65 178.655 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -28.99 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.08 -17.31 43.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.727 0.775 . . . . 0.0 109.962 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -88.19 -45.63 9.94 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.418 179.378 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.754 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -75.81 -13.09 60.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.825 177.698 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.003 171.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.6 pp -72.22 -35.08 68.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.084 0.469 . . . . 0.0 110.401 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -62.93 -37.15 85.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.807 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.698 HH21 ' HE3' ' A' ' 12' ' ' TRP . 4.3 mtp180 -79.72 -30.56 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.374 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.45 79.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -24.44 64.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.217 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.545 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 10.8 m-70 -63.18 -32.06 73.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.112 0.482 . . . . 0.0 111.117 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtm -80.59 -11.89 59.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.94 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -121.29 33.29 5.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.328 0.585 . . . . 0.0 110.567 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.355 177.899 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.04 -12.61 57.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 0.0 111.05 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.75 42.73 1.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.0 0.429 . . . . 0.0 110.742 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.27 -41.61 1.05 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.552 -0.833 . . . . 0.0 111.947 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.7 mm -79.34 99.88 3.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.613 0.721 . . . . 0.0 110.574 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.777 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.5 OUTLIER -79.51 157.3 75.06 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.366 178.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.98 -19.96 19.97 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.113 1.875 . . . . 0.0 111.203 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.67 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -106.14 49.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.065 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -73.99 139.74 45.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.722 -176.309 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 7.4 t -77.27 122.72 25.47 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.25 25.1 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.712 -175.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.992 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.9 t-105 -79.99 126.06 80.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 42.6 Cg_exo -63.15 -45.57 12.11 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.77 2.313 . . . . 0.0 113.161 -173.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -18.08 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.965 0.412 . . . . 0.0 111.115 -176.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.5 t -94.83 -68.69 0.79 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.778 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 61.83 57.58 2.14 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 111.027 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.705 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.2 mpt_? -94.82 169.22 10.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.591 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.777 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -142.72 126.93 17.53 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.992 -0.443 . . . . 0.0 110.579 -177.733 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 77.5 m-85 -123.22 169.96 10.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.346 0.594 . . . . 0.0 111.94 -174.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.41 -8.67 8.06 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.031 172.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 128.5 50.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.022 -176.336 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -20.56 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.23 -22.11 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.745 0.783 . . . . 0.0 109.586 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -79.12 -44.0 22.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.689 177.422 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -79.37 -4.72 52.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.287 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.78 -48.7 9.13 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.519 -0.738 . . . . 0.0 110.668 170.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -34.9 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.729 0.3 . . . . 0.0 110.837 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.35 -36.17 79.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 109.886 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.783 HH21 ' HE3' ' A' ' 12' ' ' TRP . 5.9 mtp180 -81.47 -20.96 39.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.245 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -38.41 72.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -68.68 -11.62 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.336 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 6.8 m-70 -79.82 -41.47 26.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.283 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 ptp -86.81 -21.18 26.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.811 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.09 61.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.277 0.56 . . . . 0.0 110.272 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.201 -179.791 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 112.126 -0.39 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -55.81 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.973 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -119.27 74.08 0.97 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.107 0.479 . . . . 0.0 110.843 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.55 -31.19 5.89 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -101.56 115.5 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 4.2 mttp -107.32 140.61 21.65 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.875 -175.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -75.95 -31.64 4.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.541 2.16 . . . . 0.0 111.592 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.896 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.6 m-30 -88.61 53.49 2.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.277 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -77.77 133.49 38.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.559 -176.019 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.4 t -76.64 121.78 23.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.665 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.54 26.66 1.05 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.134 -174.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 1.042 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.1 t-105 -82.18 134.57 48.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.39 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 38.3 Cg_exo -67.75 -51.43 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.928 2.419 . . . . 0.0 113.216 -174.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -10.8 57.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.478 0.656 . . . . 0.0 110.768 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 1.042 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 12.8 t -93.42 -66.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.628 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 63.24 54.78 1.99 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.223 0.535 . . . . 0.0 110.968 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.733 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.8 mpt_? -101.43 172.08 7.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.797 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.635 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -152.46 134.57 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 63.2 m-85 -129.93 174.32 9.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.5 0.667 . . . . 0.0 112.172 -173.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.72 -5.17 4.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.85 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.756 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 117.37 34.63 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.447 -179.819 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -18.73 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.855 0.359 . . . . 0.0 111.868 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.69 -9.35 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.598 0.713 . . . . 0.0 110.227 -178.653 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.756 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -101.33 -44.06 5.76 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 118.41 -1.316 . . . . 0.0 111.37 -177.3 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.896 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -72.88 -21.41 60.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 175.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -40.73 66.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.411 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 3.0 mt -72.32 -43.75 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.167 0.508 . . . . 0.0 110.099 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 14.6 t60 -57.88 -40.12 79.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.409 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.4 mtp180 -78.35 -27.48 47.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -42.55 93.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -61.95 -22.62 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.272 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 15.5 m-70 -73.36 -47.57 41.25 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.561 178.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.0 ptm -82.27 -22.38 35.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.055 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.5 63.79 3.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.33 0.586 . . . . 0.0 110.399 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.181 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.149 -0.38 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.97 -16.87 28.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.093 0.473 . . . . 0.0 110.64 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.19 95.35 4.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.945 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.67 -43.47 3.13 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.7 114.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 0.0 110.063 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 5.8 mmpp? -79.16 151.6 75.78 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.618 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 2.9 Cg_exo -67.11 -28.97 40.49 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 122.592 2.194 . . . . 0.0 110.51 176.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.78 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -94.91 44.91 1.1 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.364 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.759 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -74.59 127.62 33.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 16.3 t -68.98 121.7 17.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.4 18.49 3.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.904 -175.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.945 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -72.27 127.22 90.57 Favored Pre-proline 0 N--CA 1.453 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -52.74 -59.99 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.493 2.795 . . . . 0.0 113.439 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.22 -39.57 63.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -177.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.945 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 7.7 t -63.56 -73.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.525 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.5 63.59 0.87 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.48 0.657 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.797 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.1 mpt_? -100.35 -178.99 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.814 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.759 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -160.01 130.29 5.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.651 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -125.15 165.18 18.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.368 0.604 . . . . 0.0 112.25 -172.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -115.51 -17.45 11.2 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.596 -1.184 . . . . 0.0 108.834 170.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.642 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -100.71 127.29 47.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 177.029 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -27.88 61.33 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.876 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.7 p-10 -81.32 -5.9 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.276 0.56 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.642 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.18 -50.32 4.0 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.117 177.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.84 -14.59 62.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.374 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.7 -43.52 37.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.044 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.1 pp -77.28 -35.48 55.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.21 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 11.7 t60 -61.67 -36.65 81.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.743 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.5 mtp180 -79.97 -23.48 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.88 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -38.64 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.941 0.401 . . . . 0.0 110.102 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -11.87 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.8 m-70 -81.58 -52.39 7.25 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.416 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.631 ' HG3' ' HG ' ' A' ' 34' ' ' LEU . 12.3 ptm -73.45 -25.33 60.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.284 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 33' ' ' MET . 2.2 mt -112.54 71.79 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.437 0.637 . . . . 0.0 110.167 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.073 178.271 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -94.84 137.58 33.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.91 53.55 1.7 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.22 0.533 . . . . 0.0 110.787 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.57 31.78 6.21 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.0 mm -113.71 91.52 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 39.2 mmtt -131.82 154.35 81.74 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.88 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.2 -29.52 11.47 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 121.926 1.751 . . . . 0.0 110.84 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.719 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -97.83 56.16 1.24 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.658 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -75.68 138.05 41.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.309 -177.285 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 10.6 t -81.86 128.53 34.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.632 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.33 32.64 1.03 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.992 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 1.013 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.0 t-105 -90.59 129.44 44.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 45.3 Cg_exo -61.28 -58.44 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.767 2.311 . . . . 0.0 113.237 -174.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.31 -34.7 75.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.076 0.465 . . . . 0.0 110.76 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 1.013 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 2.8 t -75.75 -73.07 0.28 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.049 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 61.99 59.98 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 110.787 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -99.86 170.54 8.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.76 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -146.88 129.87 16.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.384 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.637 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -123.97 168.2 13.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.419 0.628 . . . . 0.0 112.227 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.29 -8.1 8.7 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.265 169.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.636 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.3 114.97 29.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.604 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -25.05 60.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.86 0.362 . . . . 0.0 111.74 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.23 -3.86 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.445 0.64 . . . . 0.0 110.228 -179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -100.22 -51.82 3.56 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 118.644 -1.223 . . . . 0.0 111.526 175.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -66.32 -18.31 65.28 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.707 178.774 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -48.64 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.259 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.7 pp -72.87 -33.84 66.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.058 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.1 t60 -59.54 -36.13 75.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.677 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.8 mtp180 -83.87 -28.39 28.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.461 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -42.02 87.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.746 0.308 . . . . 0.0 110.776 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.62 -6.44 53.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -69.36 -39.47 78.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.8 ptp -88.09 12.5 13.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.537 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.38 55.8 0.8 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.862 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.703 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.86 135.94 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 174.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.32 115.45 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.149 0.5 . . . . 0.0 111.878 -175.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.08 -35.47 5.04 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.86 97.4 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.646 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 28.1 mttp -77.88 141.94 64.41 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.28 -172.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.9 -21.38 18.61 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.033 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 m-30 -99.78 54.16 0.93 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.972 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.573 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.23 138.9 36.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.117 -177.639 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.4 t -74.11 124.02 25.51 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.413 176.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.61 21.72 2.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.005 -175.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.817 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.9 t-105 -84.4 119.02 72.54 Favored Pre-proline 0 C--N 1.331 -0.204 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -59.25 -44.9 30.33 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.886 2.39 . . . . 0.0 113.55 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.36 -13.36 60.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 110.824 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.817 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 40.6 t -101.31 -73.54 0.65 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.961 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t0 64.42 59.68 0.98 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 172.65 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.784 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.646 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 10.4 p -147.41 131.68 17.48 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.737 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.636 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 85.0 m-85 -130.49 -178.89 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.2 0.524 . . . . 0.0 111.215 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.16 -2.49 4.52 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.85 172.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 123.6 47.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.556 -179.251 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -14.52 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -175.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 6.0 t70 -111.56 -16.66 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.567 0.699 . . . . 0.0 109.847 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.92 -37.69 17.39 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.683 -1.207 . . . . 0.0 110.69 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.636 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.35 -17.13 52.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.35 173.323 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.49 61.52 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.969 168.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.62 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 mt -66.13 -41.88 89.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.324 0.583 . . . . 0.0 109.971 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 7.3 t60 -61.84 -36.25 80.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.286 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -82.32 -22.29 35.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.703 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -65.48 -38.51 90.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.474 177.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -72.24 -14.97 61.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.978 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 12.0 m-70 -71.97 -34.79 69.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.545 0.688 . . . . 0.0 109.853 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.5 mtm -81.15 -18.02 47.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.2 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 57.43 55.14 5.95 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.339 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.8 -177.733 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.71 -5.52 59.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.167 0.508 . . . . 0.0 110.262 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.0 119.85 10.89 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.512 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.2 32.46 3.11 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.704 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.4 mt -99.26 130.17 48.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.865 0.364 . . . . 0.0 110.226 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD2' ' HD2' ' A' ' 7' ' ' PRO . 22.3 mmtt -120.59 152.94 56.25 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.855 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD2' ' HD2' ' A' ' 6' ' ' LYS . 57.2 Cg_endo -71.58 -23.43 23.22 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.964 1.776 . . . . 0.0 110.561 176.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.786 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 m-30 -101.33 47.72 0.9 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.357 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.627 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.4 tp60 -75.13 134.2 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.151 -178.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 1.6 t -73.26 126.53 30.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.9 19.3 3.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.983 -174.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 1.009 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -77.96 129.7 75.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 34.2 Cg_exo -63.11 -54.77 0.96 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.937 2.425 . . . . 0.0 112.794 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.73 -24.96 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.358 0.599 . . . . 0.0 111.157 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 1.009 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 39.1 t -89.08 -69.65 0.7 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.97 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t0 59.52 65.51 1.15 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.965 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.817 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 1.5 mpt_? -100.52 172.98 6.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.023 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.627 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -148.25 126.4 12.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.742 0.306 . . . . 0.0 110.221 -179.454 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.701 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.3 m-85 -122.19 167.67 12.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.275 0.56 . . . . 0.0 111.402 -174.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -5.96 10.87 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 171.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.588 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 125.31 48.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.74 -177.308 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -24.07 38.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.27 -5.92 22.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.829 0.824 . . . . 0.0 109.985 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.29 -42.64 9.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.096 177.123 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.786 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -77.22 -23.53 51.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.474 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -70.05 -41.98 73.46 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.628 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.73 -30.56 56.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 177.535 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.598 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 27.9 t60 -60.76 -35.14 75.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.485 174.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.45 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -86.53 -12.09 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -77.34 -46.38 23.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.387 176.716 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -15.13 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -47.95 81.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.725 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.1 ptm -88.94 8.54 28.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.99 55.23 6.26 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.349 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.411 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.73 6.08 16.51 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 102.46 6.99 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.01 -10.12 30.82 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.575 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.74 107.71 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.052 0.453 . . . . 0.0 110.274 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 22.7 mmtt -126.73 152.82 75.46 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.323 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.98 -28.95 8.76 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.231 1.954 . . . . 0.0 111.027 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.64 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -97.0 53.54 1.2 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.996 177.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.17 141.46 35.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.319 -176.161 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 2.5 t -81.22 121.32 26.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.95 25.55 2.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.954 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.975 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.8 t-105 -77.1 131.26 73.07 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 176.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 72.7 Cg_exo -58.17 -54.19 3.39 Favored 'Trans proline' 0 N--CA 1.474 0.331 0 C-N-CA 123.048 2.498 . . . . 0.0 113.889 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.71 -15.05 50.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 111.164 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.975 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.3 t -92.69 -74.07 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.898 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.13 64.75 1.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.451 0.644 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.541 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.94 175.95 6.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.32 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.691 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.37 127.09 8.8 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.521 -177.564 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 29.9 m-85 -124.9 172.78 9.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.087 0.47 . . . . 0.0 111.129 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 -14.0 7.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.997 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.669 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.47 129.57 47.55 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.811 179.51 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -26.41 46.87 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.748 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 t70 -86.37 -8.34 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.714 0.768 . . . . 0.0 110.113 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -100.76 -40.37 7.37 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 118.675 -1.21 . . . . 0.0 111.364 -178.108 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -78.37 -17.75 56.04 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 176.603 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.04 -36.47 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.085 -0.384 . . . . 0.0 110.209 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.657 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.7 mt -67.93 -49.17 63.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 109.308 175.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 55.6 t60 -56.97 -43.46 81.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.9 mtp180 -79.08 -25.01 43.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.829 -175.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.94 -26.6 57.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.224 0.535 . . . . 0.0 109.685 175.498 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.97 -19.63 61.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.582 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m-70 -74.94 -47.99 26.83 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.272 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -72.22 -16.4 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.954 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.71 72.82 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.193 0.521 . . . . 0.0 110.443 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.591 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.26 134.42 38.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.26 48.75 0.92 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.956 0.408 . . . . 0.0 110.977 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.0 -29.83 45.05 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.097 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.0 mt -80.65 117.35 26.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.925 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.6 OUTLIER -108.47 144.76 30.16 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.321 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -74.95 -31.95 5.86 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.215 1.944 . . . . 0.0 111.087 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.684 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.6 m-30 -92.38 47.54 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.247 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.743 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.5 tt0 -77.37 134.21 38.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.07 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.7 t -74.62 128.73 36.27 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 11.67 22.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.992 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.976 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -70.29 126.53 92.37 Favored Pre-proline 0 C--N 1.33 -0.251 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.411 178.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -58.84 -56.48 1.41 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.18 2.586 . . . . 0.0 113.745 -173.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -4.66 51.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.168 0.509 . . . . 0.0 111.069 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.976 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.2 t -100.15 -73.73 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.259 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t0 65.7 57.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.559 0.695 . . . . 0.0 110.773 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.611 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.578 177.395 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.925 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -153.18 129.5 10.54 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.211 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 79.9 m-85 -128.38 174.02 9.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.914 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -5.49 5.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.625 168.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.814 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.45 125.45 49.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.457 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -26.18 56.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.968 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -87.34 -19.52 28.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.907 0.861 . . . . 0.0 109.75 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.814 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -84.72 -46.33 11.55 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.991 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -77.84 -17.02 57.86 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.688 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.41 -43.64 48.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.904 172.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -73.74 -37.33 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.113 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.462 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 20.7 t60 -61.6 -33.05 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.197 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.4 mtp180 -87.57 -31.37 19.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.795 -176.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.7 -31.01 70.67 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.528 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 4.9 ptm180 -78.6 -10.18 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 m-70 -73.57 -32.14 63.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.416 0.627 . . . . 0.0 109.37 175.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.6 mtt -79.33 -20.78 47.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.993 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 tp -132.92 87.08 2.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.174 -176.908 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.94 146.56 35.01 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.47 129.4 35.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.996 0.427 . . . . 0.0 110.811 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.39 -22.6 47.06 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 175.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.3 132.71 31.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.625 -0.788 . . . . 0.0 109.725 174.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -88.96 141.46 29.59 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -175.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -79.86 -29.37 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.749 2.3 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.883 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.8 m-30 -93.74 57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.663 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -71.68 133.47 45.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.033 -175.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -74.89 127.6 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.372 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.34 30.56 2.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.047 -175.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.866 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -88.14 129.71 48.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -58.79 -61.14 0.27 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.813 2.342 . . . . 0.0 113.319 -173.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -32.02 73.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.235 0.541 . . . . 0.0 111.191 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.866 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 42.4 t -76.94 -68.59 0.59 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.065 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 59.36 62.87 1.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.84 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -101.16 178.96 4.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -155.94 128.12 7.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.206 -178.18 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.8 m-85 -127.15 170.52 12.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.594 0.712 . . . . 0.0 111.957 -174.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.41 -5.69 5.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.619 172.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.726 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.04 116.19 32.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.557 -1.202 . . . . 0.0 110.356 -178.535 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -19.49 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.93 -12.58 23.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.715 0.769 . . . . 0.0 109.871 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.726 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -96.24 -44.37 7.3 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.485 -178.528 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.4 -14.68 61.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.605 176.042 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.89 -47.48 45.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 0.0 111.075 173.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 24' ' ' HIS . 3.2 pp -73.44 -34.97 65.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.483 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.4 t60 -59.0 -33.84 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.932 175.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.7 mtp180 -90.17 -26.61 20.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.567 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -43.32 79.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.704 0.288 . . . . 0.0 110.484 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -10.38 59.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -65.64 -44.41 86.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.554 177.674 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -85.1 8.73 17.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.097 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.2 55.1 0.66 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.341 0.591 . . . . 0.0 110.251 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.01 150.57 35.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.76 0.314 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.08 138.58 58.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.91 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.09 -45.99 5.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.474 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 mt -68.64 120.93 16.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.921 0.391 . . . . 0.0 109.98 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.717 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.7 OUTLIER -79.46 147.64 68.47 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.877 -176.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -69.87 -33.05 16.94 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.8 2.334 . . . . 0.0 110.937 177.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.797 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.1 m-30 -96.11 47.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.508 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.66 142.76 49.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.666 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 5.6 t -82.54 128.44 34.3 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.28 22.3 4.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.902 -175.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 1.028 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.6 t-105 -78.85 132.08 65.33 Favored Pre-proline 0 C--N 1.326 -0.441 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.248 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 53.5 Cg_exo -57.1 -61.25 0.32 Allowed 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.035 2.49 . . . . 0.0 113.408 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -14.38 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 111.239 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 1.028 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.2 t -93.13 -73.35 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.92 56.97 2.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.534 0.683 . . . . 0.0 110.742 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 174.79 7.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.628 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.717 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -149.47 126.31 11.14 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -177.485 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.632 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.1 m-85 -126.87 169.12 13.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 112.454 -172.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 m -125.03 -9.5 7.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.96 171.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -101.46 120.25 40.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.927 179.672 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -22.63 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.48 -8.56 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.004 0.907 . . . . 0.0 109.954 -178.263 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -99.96 -43.11 6.49 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.477 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -74.09 -20.47 60.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.818 175.79 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HD3' ' A' ' 30' ' ' LYS . . . -71.18 -44.27 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.943 -0.473 . . . . 0.0 110.322 171.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 8.7 mt -65.6 -46.47 79.22 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.381 0.61 . . . . 0.0 109.818 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t60 -56.42 -40.03 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.77 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.621 HH21 ' HE3' ' A' ' 12' ' ' TRP . 10.8 mtp180 -81.98 -26.74 33.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.422 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -70.19 -39.82 75.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.281 0.562 . . . . 0.0 109.724 176.534 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.98 -13.06 62.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.261 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.5 m-70 -70.36 -25.87 63.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.338 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.2 mtm -66.77 -34.96 78.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.133 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 56.6 49.15 15.16 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.417 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.804 178.183 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.11 103.8 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.23 130.08 41.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.021 0.439 . . . . 0.0 111.576 -177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.76 -22.88 10.5 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.8 mm -100.16 110.77 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.02 0.438 . . . . 0.0 110.291 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.67 ' HD3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER -118.93 147.1 41.7 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.08 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -75.61 -27.72 8.81 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.394 2.063 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 1.047 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.1 m-30 -103.24 55.09 0.75 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.48 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.656 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 2.0 tt0 -75.13 120.88 21.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.072 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.65 129.31 39.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.66 28.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.885 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -92.33 127.07 50.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 54.1 Cg_exo -59.39 -63.5 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.939 2.426 . . . . 0.0 113.534 -172.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.955 0.407 . . . . 0.0 110.956 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.885 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 46.2 t -62.46 -60.94 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.899 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 59.93 59.28 2.49 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.424 0.63 . . . . 0.0 110.841 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 167.76 9.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.036 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.67 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 1.4 p -153.4 128.68 9.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 80.8 m-85 -123.9 155.16 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.344 0.592 . . . . 0.0 112.301 -172.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -6.97 11.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.262 168.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.11 113.51 26.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.969 178.02 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.57 78.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.389 . . . . 0.0 111.607 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -77.07 -11.77 59.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 110.771 -178.404 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -92.61 -50.23 5.7 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.729 176.628 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.047 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.39 -25.56 63.3 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.123 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.17 72.86 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.098 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -79.81 -35.1 38.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 178.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.541 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 22.4 t60 -58.84 -34.43 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.24 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.603 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -84.65 -27.64 26.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.366 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -36.25 76.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.859 177.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -91.0 13.28 17.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.153 0.502 . . . . 0.0 110.616 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.09 1.3 53.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 47.7 mtm -72.69 -26.57 61.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -138.6 8.42 2.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.402 0.62 . . . . 0.0 111.395 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.235 173.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -75.22 100.39 4.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.115 0.483 . . . . 0.0 110.655 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.88 121.83 27.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.064 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.84 -26.13 8.14 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.55 111.17 26.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.951 0.405 . . . . 0.0 110.032 177.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.88 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 7.0 mttp -102.64 142.61 24.93 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.494 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.71 -28.99 9.24 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.276 1.984 . . . . 0.0 111.202 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.793 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.2 m-30 -93.3 50.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.621 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.68 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -72.1 133.51 45.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.1 t -71.78 130.81 42.0 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.37 16.1 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.828 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t-105 -83.21 122.17 77.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.846 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 33.4 Cg_exo -62.57 -48.31 7.62 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.986 2.457 . . . . 0.0 113.002 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.86 -17.99 64.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.264 0.554 . . . . 0.0 110.991 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.828 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.8 t -100.04 -67.66 0.84 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.601 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.92 63.28 0.83 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.454 0.645 . . . . 0.0 111.14 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -100.77 175.16 5.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.195 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.88 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -152.44 125.28 8.45 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -178.437 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.619 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 65.8 m-85 -123.15 166.3 15.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.488 0.661 . . . . 0.0 112.741 -170.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 -12.47 9.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.773 170.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.804 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.32 122.33 43.51 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.577 -179.606 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -27.48 63.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.88 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.473 ' O ' HD23 ' A' ' 27' ' ' LEU . 36.8 t70 -90.6 -7.36 52.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.742 0.782 . . . . 0.0 110.182 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.804 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -93.91 -44.47 8.07 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.879 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.793 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -76.46 -4.02 40.32 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 175.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.49 -48.95 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.817 -0.552 . . . . 0.0 110.791 170.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.4 pp -72.82 -36.61 67.56 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' HIS . 13.6 t60 -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.584 HH21 ' HE3' ' A' ' 12' ' ' TRP . 13.7 mtp180 -85.25 -23.87 28.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.253 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -42.17 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 109.856 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -74.31 -3.31 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.641 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.9 m-70 -75.14 -27.54 59.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.9 mtp -76.4 -14.63 60.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.76 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.01 54.12 10.16 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.365 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.121 -0.943 . . . . 0.0 110.165 177.253 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -41.65 20.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.017 0.436 . . . . 0.0 110.618 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.5 137.35 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.469 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.38 -12.88 62.42 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.834 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.61 105.72 3.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.96 143.2 28.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -175.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.48 -23.97 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.728 2.286 . . . . 0.0 111.363 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.856 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.6 m-30 -101.46 47.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.532 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.759 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -71.36 135.66 47.43 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 43.0 t -74.91 112.51 11.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 32.44 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.286 -176.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -87.53 121.29 71.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.552 174.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.5 -25.91 29.31 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.438 2.092 . . . . 0.0 112.778 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -88.29 -23.04 23.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.464 0.649 . . . . 0.0 110.39 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.943 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.1 t -100.29 -66.46 0.91 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.106 -176.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 67.18 58.56 0.55 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.448 0.642 . . . . 0.0 111.256 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -100.97 175.91 5.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.042 178.104 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.759 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.02 129.68 10.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 60.4 m-85 -124.64 165.35 18.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.694 0.759 . . . . 0.0 112.759 -172.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -17.24 10.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.269 -1.332 . . . . 0.0 108.55 172.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.688 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.05 119.86 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.563 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -25.98 59.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.653 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -84.26 -12.93 53.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.974 0.892 . . . . 0.0 109.689 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.688 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -95.78 -45.33 7.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.159 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.856 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.59 -20.24 60.66 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.423 176.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -71.07 -46.43 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.71 173.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -74.15 -34.95 64.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 23.6 t60 -63.36 -36.88 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.582 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -78.22 -26.37 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.822 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -66.47 -30.86 71.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.047 0.451 . . . . 0.0 109.866 174.612 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 -70.15 -16.45 63.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.021 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 38.7 m-70 -83.15 -45.11 14.32 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.492 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.4 ptm -81.81 -22.27 37.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.026 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.57 67.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.354 0.597 . . . . 0.0 109.902 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.241 179.626 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.09 77.22 9.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.237 0.541 . . . . 0.0 111.027 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.11 33.83 0.45 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.129 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.82 -22.49 30.65 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.04 131.21 35.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.314 -0.443 . . . . 0.0 109.822 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 2.6 mmmt -94.36 142.16 24.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 121.25 0.547 . . . . 0.0 110.674 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -73.27 -33.53 7.09 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.327 2.685 . . . . 0.0 111.819 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -92.85 46.6 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.697 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -68.61 138.09 54.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.167 -178.33 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 40.1 t -79.62 120.71 24.33 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.29 34.25 0.51 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.433 -176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 1.028 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.5 t-105 -91.76 134.66 28.69 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 39.5 Cg_exo -66.8 -57.88 0.18 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.726 2.284 . . . . 0.0 112.764 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -29.05 66.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.217 0.532 . . . . 0.0 110.689 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 1.028 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.6 t -81.25 -74.95 0.3 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.01 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 66.45 44.04 2.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.5 0.667 . . . . 0.0 111.041 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -84.5 170.77 13.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.143 178.632 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -144.33 127.01 16.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.291 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 50.1 m-85 -122.49 173.44 7.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.695 0.76 . . . . 0.0 112.591 -171.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.09 -7.02 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.225 173.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.66 122.87 44.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.145 176.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -26.93 64.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' O ' HD23 ' A' ' 27' ' ' LEU . 33.2 t70 -98.38 -18.91 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.627 0.727 . . . . 0.0 110.418 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -79.76 -41.06 27.38 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.893 -1.123 . . . . 0.0 110.549 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.27 -14.55 57.28 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.91 177.129 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.73 -42.93 39.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.039 -0.413 . . . . 0.0 111.074 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -78.11 -31.57 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.383 . . . . 0.0 110.102 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 19.1 t60 -63.78 -33.0 74.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.943 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 mtp180 -91.06 -15.81 28.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.288 -175.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.54 -27.17 41.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.303 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -24.74 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.455 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 12' ' ' TRP . 2.7 m-70 -61.78 -43.48 98.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.527 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.473 ' HG3' HG23 ' A' ' 35' ' ' VAL . 16.4 ptt? -73.56 -1.03 17.0 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.878 -173.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 57.64 52.1 8.7 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.991 174.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' A' ' 33' ' ' MET . 95.8 t . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.707 175.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.01 163.68 25.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.595 0.236 . . . . 0.0 110.396 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.12 77.24 8.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.371 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.51 1.81 6.51 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.21 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mt -81.94 69.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.782 0.801 . . . . 0.0 110.169 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.867 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 1.8 mmtm -103.9 151.35 38.87 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.534 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.46 -26.03 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.203 1.936 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.726 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -96.1 46.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.251 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.673 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.2 141.95 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 32.2 t -87.26 116.8 25.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.5 t -86.55 23.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.839 -175.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.971 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 3.2 t-105 -75.34 121.01 84.3 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.94 -44.18 37.42 Favored 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 122.756 2.304 . . . . 0.0 113.29 -173.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -77.99 -16.53 58.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.611 0.719 . . . . 0.0 110.613 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.971 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.9 t -99.1 -71.74 0.68 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.584 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t0 64.48 57.8 1.12 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 110.61 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.65 177.04 5.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.908 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.867 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 1.3 p -154.73 125.6 7.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.425 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 62.6 m-85 -123.96 164.05 20.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.456 0.646 . . . . 0.0 112.004 -174.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.17 -15.23 9.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.141 171.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.54 118.59 37.27 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.644 178.653 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -32.73 72.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -7.63 56.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.014 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -99.47 -46.43 5.48 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 118.664 -1.215 . . . . 0.0 111.466 176.213 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.93 -21.4 60.06 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.24 62.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.727 -0.608 . . . . 0.0 111.052 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.761 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.11 -36.52 35.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.239 0.542 . . . . 0.0 109.872 178.006 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.8 t60 -63.07 -30.95 72.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.482 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.5 mtp180 -90.23 -24.06 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.749 -176.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.761 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.05 -30.21 63.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.526 179.593 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -82.34 -9.3 59.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.121 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.8 m-70 -70.17 -31.2 68.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.16 0.505 . . . . 0.0 110.554 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.422 ' H ' ' HG3' ' A' ' 33' ' ' MET . 10.4 mtt -70.81 -26.33 63.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.048 -175.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.77 58.28 2.43 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.682 0.614 . . . . 0.0 110.995 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.276 178.514 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.61 83.18 6.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.157 0.503 . . . . 0.0 110.243 178.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.48 44.95 1.0 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.325 0.583 . . . . 0.0 110.42 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.32 1.17 34.93 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.145 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mm -81.02 111.71 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.927 0.394 . . . . 0.0 110.108 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.823 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 8.5 mmtt -128.44 153.33 79.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.186 -176.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.68 -27.97 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.266 1.977 . . . . 0.0 111.352 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.79 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -92.79 54.99 2.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.135 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.582 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -73.53 138.51 45.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.38 -176.518 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.3 t -80.69 115.99 20.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 174.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.95 29.24 0.47 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.79 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.888 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -87.47 125.02 66.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 173.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -66.81 -45.46 4.39 Favored 'Trans proline' 0 N--CA 1.473 0.275 0 C-N-CA 122.901 2.4 . . . . 0.0 112.713 -173.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -22.11 62.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.667 0.746 . . . . 0.0 110.874 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 4.3 t -97.44 -68.78 0.78 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.396 -176.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.06 55.98 1.86 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.825 0.822 . . . . 0.0 111.189 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.735 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 6.2 mpt_? -97.67 173.55 7.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.313 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.823 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 57.8 m -158.98 132.17 7.18 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.646 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 66.2 m-85 -123.75 174.12 7.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.409 0.623 . . . . 0.0 112.168 -172.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -5.03 9.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.156 170.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -102.57 122.02 43.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.394 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -19.14 58.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.64 -19.32 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.848 0.832 . . . . 0.0 109.599 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.628 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -80.59 -40.02 26.52 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.495 179.181 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -82.86 -7.06 59.69 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.97 175.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.31 16.42 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.833 -0.542 . . . . 0.0 110.451 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.3 -37.79 63.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.967 0.413 . . . . 0.0 110.011 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 40.1 t60 -58.24 -36.94 73.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.178 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.501 HH21 ' HE3' ' A' ' 12' ' ' TRP . 3.6 mtp180 -82.85 -20.5 35.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.85 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -35.75 64.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.45 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -20.93 66.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.816 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.492 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 17.4 m-70 -71.85 -42.63 66.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.946 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -92.77 -16.77 25.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.501 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.71 60.94 1.85 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.125 0.488 . . . . 0.0 110.7 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.894 179.238 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.07 45.76 1.02 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.275 0.559 . . . . 0.0 110.68 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.15 76.62 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.351 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.33 -35.41 8.77 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.447 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -74.39 137.37 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.309 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.565 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 3.2 mmtp -107.13 156.65 37.12 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.744 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -67.69 -27.77 37.98 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.0 1.8 . . . . 0.0 110.038 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.93 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 m-30 -94.34 52.86 1.62 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.371 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.524 ' OE1' ' HB3' ' A' ' 18' ' ' SER . 4.4 tp60 -78.56 127.87 32.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.429 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.656 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 19.5 t -67.4 128.57 36.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.579 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.34 14.81 7.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.159 -175.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.988 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -76.52 127.93 83.34 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.852 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -60.66 -52.82 3.31 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.965 2.443 . . . . 0.0 113.268 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -77.29 -15.13 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.296 0.569 . . . . 0.0 110.893 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.988 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 37.9 t -94.99 -75.99 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.884 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.22 66.48 0.95 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.656 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.76 170.6 9.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.113 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -143.44 126.25 16.15 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.28 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.678 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.1 m-85 -122.56 155.47 36.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.325 0.583 . . . . 0.0 112.16 -173.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -15.47 15.1 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.713 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.822 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.66 121.74 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.999 -178.169 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.79 62.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.082 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.457 ' O ' HD23 ' A' ' 27' ' ' LEU . 36.3 t70 -85.57 -6.76 59.13 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.79 0.805 . . . . 0.0 110.348 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -95.36 -45.61 7.06 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.048 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.93 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.61 -24.68 60.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.448 177.371 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.48 -42.78 74.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.934 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.779 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -77.36 -37.0 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.179 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.2 t60 -58.69 -36.63 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.146 176.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HA ' ' HD2' ' A' ' 32' ' ' HIS . 4.6 mtp180 -81.01 -31.28 34.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.894 -176.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.779 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.22 -30.0 60.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.143 0.497 . . . . 0.0 109.951 177.016 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 34' ' ' LEU . 22.5 mmm-85 -68.89 -21.21 64.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.874 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.2 m-70 -64.75 -30.04 71.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.955 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.92 -6.61 53.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.625 -176.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 31' ' ' ARG . 2.8 mt -103.77 29.16 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 176.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.4 -179.045 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.775 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.24 -29.07 10.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.281 1.987 . . . . 0.0 111.091 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.861 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.7 m-30 -91.86 50.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.415 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.9 tp60 -77.31 126.19 30.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.613 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -68.0 127.96 34.78 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.57 27.36 1.75 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.941 -174.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -91.62 121.87 66.6 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -64.22 -48.88 4.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.986 2.457 . . . . 0.0 113.35 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -16.92 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.13 0.491 . . . . 0.0 110.811 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.807 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 48.4 t -88.6 -59.7 2.16 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.742 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.89 53.13 2.48 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.296 0.569 . . . . 0.0 111.209 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -100.78 157.71 16.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.529 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.775 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -146.66 128.87 15.7 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 64.6 m-85 -119.93 166.46 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -170.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -14.7 8.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.859 172.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.23 119.32 38.61 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.736 -179.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.4 61.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 0.0 111.28 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -87.48 -7.59 57.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.604 0.716 . . . . 0.0 110.231 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.656 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -101.92 -42.97 5.94 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.323 -1.351 . . . . 0.0 111.204 178.25 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.861 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.15 -21.16 60.76 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.316 177.177 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.42 72.64 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.204 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.31 -33.08 64.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.323 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 26.2 t60 -61.54 -32.94 73.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.808 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 10.8 mtp180 -86.85 -33.28 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.242 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -40.45 94.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.366 . . . . 0.0 110.588 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -17.99 60.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.409 0.623 . . . . 0.0 110.331 177.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.632 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 3.5 mmtp . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.962 0.41 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 4.5 Cg_exo -72.7 -24.78 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.089 2.526 . . . . 0.0 111.126 175.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.655 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -92.16 47.17 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -75.78 141.86 42.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.321 -177.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 37.1 t -80.34 122.76 27.32 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 22.0 1.42 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.977 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.969 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.3 t-105 -78.97 118.7 73.97 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -60.86 -38.24 71.55 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.828 2.352 . . . . 0.0 112.86 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -37.29 44.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.251 0.548 . . . . 0.0 110.511 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.969 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -81.54 -66.98 0.82 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.737 -174.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.61 54.32 1.45 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.348 0.594 . . . . 0.0 111.641 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.885 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.8 mpt_? -90.54 169.11 11.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.18 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.632 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -146.26 129.43 16.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.691 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.655 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 35.7 m-85 -124.19 173.65 8.19 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.19 0.519 . . . . 0.0 111.831 -173.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.02 -13.08 7.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.111 170.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 2.1 mtm-85 -102.41 123.03 45.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.363 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -22.99 59.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.733 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -92.55 -3.36 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.692 0.758 . . . . 0.0 110.28 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.783 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -102.19 -46.34 4.86 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.687 -1.205 . . . . 0.0 111.296 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.581 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -73.15 -18.35 61.28 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.046 178.271 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.51 -41.68 62.75 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.557 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 9.0 mt -72.47 -43.59 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.856 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.73 -38.2 77.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.464 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 7.7 mtp180 -76.87 -29.67 55.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -32.93 71.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.202 0.525 . . . . 0.0 109.855 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -74.96 -5.07 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.425 178.415 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 11.1 m-70 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 109.544 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.758 0.313 . . . . 0.0 110.507 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -75.08 -33.0 4.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.518 2.145 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.7 m-30 -87.91 54.97 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.602 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -74.28 133.26 42.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.787 -178.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 39.8 t -72.43 120.87 18.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.41 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 31.55 0.46 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.502 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 1.033 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -92.15 125.41 56.73 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 22.3 Cg_exo -69.12 -38.19 9.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.58 -19.56 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.381 0.61 . . . . 0.0 110.745 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.033 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.9 t -101.16 -68.92 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.346 -176.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.76 54.64 0.81 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.511 0.672 . . . . 0.0 111.378 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -94.8 172.04 8.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.088 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.866 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.36 126.38 10.52 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.389 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 58.3 m-85 -121.59 170.8 9.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.614 0.721 . . . . 0.0 112.502 -171.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -13.44 7.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.851 171.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.863 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.84 123.67 46.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.65 178.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -28.99 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.08 -17.31 43.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.727 0.775 . . . . 0.0 109.962 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -88.19 -45.63 9.94 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.418 179.378 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.754 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -75.81 -13.09 60.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.825 177.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.003 171.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.6 pp -72.22 -35.08 68.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.084 0.469 . . . . 0.0 110.401 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -62.93 -37.15 85.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.807 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.698 HH21 ' HE3' ' A' ' 12' ' ' TRP . 4.3 mtp180 -79.72 -30.56 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.374 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.45 79.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -24.44 64.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.217 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.545 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 10.8 m-70 . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 121.112 0.482 . . . . 0.0 111.117 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.777 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.98 -19.96 19.97 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.113 1.875 . . . . 0.0 111.203 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.67 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -106.14 49.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.065 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -73.99 139.74 45.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.722 -176.309 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 7.4 t -77.27 122.72 25.47 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.25 25.1 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.712 -175.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.992 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.9 t-105 -79.99 126.06 80.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 42.6 Cg_exo -63.15 -45.57 12.11 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.77 2.313 . . . . 0.0 113.161 -173.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -18.08 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.965 0.412 . . . . 0.0 111.115 -176.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.5 t -94.83 -68.69 0.79 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.778 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 61.83 57.58 2.14 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 111.027 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.705 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.2 mpt_? -94.82 169.22 10.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.591 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.777 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -142.72 126.93 17.53 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.992 -0.443 . . . . 0.0 110.579 -177.733 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 77.5 m-85 -123.22 169.96 10.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.346 0.594 . . . . 0.0 111.94 -174.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.41 -8.67 8.06 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.031 172.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 128.5 50.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.022 -176.336 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -20.56 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.23 -22.11 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.745 0.783 . . . . 0.0 109.586 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.12 -44.0 22.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.689 177.422 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -79.37 -4.72 52.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.287 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.78 -48.7 9.13 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.519 -0.738 . . . . 0.0 110.668 170.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -34.9 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.729 0.3 . . . . 0.0 110.837 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.35 -36.17 79.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 109.886 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.783 HH21 ' HE3' ' A' ' 12' ' ' TRP . 5.9 mtp180 -81.47 -20.96 39.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.245 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -38.41 72.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -68.68 -11.62 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.336 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 6.8 m-70 . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.283 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.626 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 4.2 mttp . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -75.95 -31.64 4.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.541 2.16 . . . . 0.0 111.592 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.896 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.6 m-30 -88.61 53.49 2.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.277 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -77.77 133.49 38.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.559 -176.019 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.4 t -76.64 121.78 23.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.665 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.54 26.66 1.05 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.134 -174.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 1.042 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.1 t-105 -82.18 134.57 48.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.39 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 38.3 Cg_exo -67.75 -51.43 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.928 2.419 . . . . 0.0 113.216 -174.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -10.8 57.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.478 0.656 . . . . 0.0 110.768 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.042 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 12.8 t -93.42 -66.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.628 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 63.24 54.78 1.99 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.223 0.535 . . . . 0.0 110.968 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.733 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.8 mpt_? -101.43 172.08 7.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.797 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.635 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -152.46 134.57 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 63.2 m-85 -129.93 174.32 9.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.5 0.667 . . . . 0.0 112.172 -173.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.72 -5.17 4.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.85 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.756 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 117.37 34.63 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.447 -179.819 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -18.73 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.855 0.359 . . . . 0.0 111.868 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.69 -9.35 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.598 0.713 . . . . 0.0 110.227 -178.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.756 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -101.33 -44.06 5.76 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 118.41 -1.316 . . . . 0.0 111.37 -177.3 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.896 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -72.88 -21.41 60.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 175.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -40.73 66.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.411 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 3.0 mt -72.32 -43.75 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.167 0.508 . . . . 0.0 110.099 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 14.6 t60 -57.88 -40.12 79.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.409 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.4 mtp180 -78.35 -27.48 47.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -42.55 93.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -61.95 -22.62 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.272 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 15.5 m-70 . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.561 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 5.8 mmpp? . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.644 0.259 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 2.9 Cg_exo -67.11 -28.97 40.49 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 122.592 2.194 . . . . 0.0 110.51 176.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.78 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -94.91 44.91 1.1 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.364 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.759 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -74.59 127.62 33.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 16.3 t -68.98 121.7 17.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.4 18.49 3.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.904 -175.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.945 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -72.27 127.22 90.57 Favored Pre-proline 0 N--CA 1.453 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -52.74 -59.99 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.493 2.795 . . . . 0.0 113.439 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.22 -39.57 63.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -177.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.945 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 7.7 t -63.56 -73.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.525 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.5 63.59 0.87 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.48 0.657 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.797 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.1 mpt_? -100.35 -178.99 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.814 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.759 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -160.01 130.29 5.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.651 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -125.15 165.18 18.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.368 0.604 . . . . 0.0 112.25 -172.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -115.51 -17.45 11.2 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.596 -1.184 . . . . 0.0 108.834 170.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.642 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -100.71 127.29 47.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 177.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -27.88 61.33 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.876 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.7 p-10 -81.32 -5.9 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.276 0.56 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.642 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.18 -50.32 4.0 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.117 177.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.84 -14.59 62.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.374 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.7 -43.52 37.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.044 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.1 pp -77.28 -35.48 55.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.21 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 11.7 t60 -61.67 -36.65 81.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.743 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.5 mtp180 -79.97 -23.48 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.88 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -38.64 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.941 0.401 . . . . 0.0 110.102 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -11.87 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.8 m-70 . . . . . 0 N--CA 1.447 -0.601 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.416 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 39.2 mmtt . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.2 -29.52 11.47 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 121.926 1.751 . . . . 0.0 110.84 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.719 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -97.83 56.16 1.24 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.658 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -75.68 138.05 41.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.309 -177.285 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 10.6 t -81.86 128.53 34.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.632 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.33 32.64 1.03 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.992 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 1.013 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.0 t-105 -90.59 129.44 44.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 45.3 Cg_exo -61.28 -58.44 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.767 2.311 . . . . 0.0 113.237 -174.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.31 -34.7 75.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.076 0.465 . . . . 0.0 110.76 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.013 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 2.8 t -75.75 -73.07 0.28 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.049 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 61.99 59.98 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 110.787 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -99.86 170.54 8.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.76 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -146.88 129.87 16.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.637 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -123.97 168.2 13.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.419 0.628 . . . . 0.0 112.227 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.29 -8.1 8.7 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.265 169.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.636 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.3 114.97 29.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.604 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -25.05 60.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.86 0.362 . . . . 0.0 111.74 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.23 -3.86 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.445 0.64 . . . . 0.0 110.228 -179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.22 -51.82 3.56 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 118.644 -1.223 . . . . 0.0 111.526 175.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -66.32 -18.31 65.28 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.707 178.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -48.64 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.259 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.7 pp -72.87 -33.84 66.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.058 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.1 t60 -59.54 -36.13 75.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.677 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.8 mtp180 -83.87 -28.39 28.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.461 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -42.02 87.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.746 0.308 . . . . 0.0 110.776 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.62 -6.44 53.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.515 -0.392 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.646 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 28.1 mttp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.9 -21.38 18.61 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.033 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 m-30 -99.78 54.16 0.93 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.972 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.573 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.23 138.9 36.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.117 -177.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.4 t -74.11 124.02 25.51 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.413 176.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.61 21.72 2.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.005 -175.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.817 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.9 t-105 -84.4 119.02 72.54 Favored Pre-proline 0 C--N 1.331 -0.204 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -59.25 -44.9 30.33 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.886 2.39 . . . . 0.0 113.55 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.36 -13.36 60.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 110.824 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.817 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 40.6 t -101.31 -73.54 0.65 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.961 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t0 64.42 59.68 0.98 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 172.65 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.784 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.646 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 10.4 p -147.41 131.68 17.48 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.737 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.636 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 85.0 m-85 -130.49 -178.89 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.2 0.524 . . . . 0.0 111.215 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.16 -2.49 4.52 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.85 172.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 123.6 47.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.556 -179.251 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -14.52 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -175.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 6.0 t70 -111.56 -16.66 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.567 0.699 . . . . 0.0 109.847 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.92 -37.69 17.39 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.683 -1.207 . . . . 0.0 110.69 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.636 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.35 -17.13 52.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.35 173.323 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.49 61.52 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.969 168.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.62 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 mt -66.13 -41.88 89.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.324 0.583 . . . . 0.0 109.971 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 7.3 t60 -61.84 -36.25 80.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.286 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -82.32 -22.29 35.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.703 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -65.48 -38.51 90.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.474 177.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -72.24 -14.97 61.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.978 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 12.0 m-70 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.545 0.688 . . . . 0.0 109.853 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD2' ' HD2' ' A' ' 7' ' ' PRO . 22.3 mmtt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD2' ' HD2' ' A' ' 6' ' ' LYS . 57.2 Cg_endo -71.58 -23.43 23.22 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.964 1.776 . . . . 0.0 110.561 176.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.786 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 m-30 -101.33 47.72 0.9 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.357 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.627 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.4 tp60 -75.13 134.2 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.151 -178.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 1.6 t -73.26 126.53 30.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.9 19.3 3.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.983 -174.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 1.009 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -77.96 129.7 75.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 34.2 Cg_exo -63.11 -54.77 0.96 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.937 2.425 . . . . 0.0 112.794 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.73 -24.96 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.358 0.599 . . . . 0.0 111.157 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.009 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 39.1 t -89.08 -69.65 0.7 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.97 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t0 59.52 65.51 1.15 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.965 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.817 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 1.5 mpt_? -100.52 172.98 6.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.023 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.627 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -148.25 126.4 12.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.742 0.306 . . . . 0.0 110.221 -179.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.701 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.3 m-85 -122.19 167.67 12.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.275 0.56 . . . . 0.0 111.402 -174.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -5.96 10.87 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 171.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.588 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 125.31 48.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.74 -177.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -24.07 38.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.27 -5.92 22.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.829 0.824 . . . . 0.0 109.985 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.29 -42.64 9.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.096 177.123 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.786 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -77.22 -23.53 51.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.474 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -70.05 -41.98 73.46 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.628 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.73 -30.56 56.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 177.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.598 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 27.9 t60 -60.76 -35.14 75.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.485 174.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.45 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -86.53 -12.09 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -77.34 -46.38 23.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.387 176.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -15.13 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.725 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 22.7 mmtt . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.98 -28.95 8.76 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.231 1.954 . . . . 0.0 111.027 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.64 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -97.0 53.54 1.2 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.996 177.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.17 141.46 35.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.319 -176.161 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 2.5 t -81.22 121.32 26.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.95 25.55 2.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.954 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.975 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.8 t-105 -77.1 131.26 73.07 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 176.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 72.7 Cg_exo -58.17 -54.19 3.39 Favored 'Trans proline' 0 N--CA 1.474 0.331 0 C-N-CA 123.048 2.498 . . . . 0.0 113.889 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.71 -15.05 50.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 111.164 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.975 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.3 t -92.69 -74.07 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.898 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.13 64.75 1.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.451 0.644 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.541 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.94 175.95 6.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.32 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.691 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.37 127.09 8.8 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.521 -177.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 29.9 m-85 -124.9 172.78 9.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.087 0.47 . . . . 0.0 111.129 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 -14.0 7.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.997 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.669 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.47 129.57 47.55 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.811 179.51 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -26.41 46.87 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.748 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 t70 -86.37 -8.34 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.714 0.768 . . . . 0.0 110.113 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -100.76 -40.37 7.37 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 118.675 -1.21 . . . . 0.0 111.364 -178.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -78.37 -17.75 56.04 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 176.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.04 -36.47 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.085 -0.384 . . . . 0.0 110.209 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.657 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.7 mt -67.93 -49.17 63.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 109.308 175.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 55.6 t60 -56.97 -43.46 81.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.9 mtp180 -79.08 -25.01 43.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.829 -175.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.94 -26.6 57.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.224 0.535 . . . . 0.0 109.685 175.498 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.97 -19.63 61.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.582 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m-70 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.272 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.925 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -74.95 -31.95 5.86 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.215 1.944 . . . . 0.0 111.087 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.684 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.6 m-30 -92.38 47.54 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.247 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.743 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.5 tt0 -77.37 134.21 38.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.07 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.7 t -74.62 128.73 36.27 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 11.67 22.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.992 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.976 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -70.29 126.53 92.37 Favored Pre-proline 0 C--N 1.33 -0.251 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.411 178.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -58.84 -56.48 1.41 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.18 2.586 . . . . 0.0 113.745 -173.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -4.66 51.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.168 0.509 . . . . 0.0 111.069 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.976 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.2 t -100.15 -73.73 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.259 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t0 65.7 57.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.559 0.695 . . . . 0.0 110.773 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.611 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.578 177.395 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.925 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -153.18 129.5 10.54 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.211 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 79.9 m-85 -128.38 174.02 9.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.914 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -5.49 5.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.625 168.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.814 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.45 125.45 49.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.457 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -26.18 56.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.968 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -87.34 -19.52 28.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.907 0.861 . . . . 0.0 109.75 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.814 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -84.72 -46.33 11.55 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.991 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -77.84 -17.02 57.86 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.688 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.41 -43.64 48.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.904 172.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -73.74 -37.33 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.113 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.462 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 20.7 t60 -61.6 -33.05 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.197 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.4 mtp180 -87.57 -31.37 19.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.795 -176.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.7 -31.01 70.67 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.528 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 4.9 ptm180 -78.6 -10.18 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 m-70 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 121.416 0.627 . . . . 0.0 109.37 175.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.19 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -79.86 -29.37 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.749 2.3 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.883 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.8 m-30 -93.74 57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.663 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -71.68 133.47 45.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.033 -175.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -74.89 127.6 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.372 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.34 30.56 2.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.047 -175.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.866 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -88.14 129.71 48.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -58.79 -61.14 0.27 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.813 2.342 . . . . 0.0 113.319 -173.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -32.02 73.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.235 0.541 . . . . 0.0 111.191 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.866 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 42.4 t -76.94 -68.59 0.59 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.065 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 59.36 62.87 1.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.84 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -101.16 178.96 4.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -155.94 128.12 7.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.206 -178.18 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.8 m-85 -127.15 170.52 12.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.594 0.712 . . . . 0.0 111.957 -174.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.41 -5.69 5.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.619 172.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.726 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.04 116.19 32.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.557 -1.202 . . . . 0.0 110.356 -178.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -19.49 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.93 -12.58 23.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.715 0.769 . . . . 0.0 109.871 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.726 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -96.24 -44.37 7.3 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.485 -178.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.4 -14.68 61.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.605 176.042 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.89 -47.48 45.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 0.0 111.075 173.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 24' ' ' HIS . 3.2 pp -73.44 -34.97 65.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.483 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.4 t60 -59.0 -33.84 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.932 175.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.7 mtp180 -90.17 -26.61 20.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.567 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -43.32 79.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.704 0.288 . . . . 0.0 110.484 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -10.38 59.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.554 177.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.717 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.118 0.485 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -69.87 -33.05 16.94 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.8 2.334 . . . . 0.0 110.937 177.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.797 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.1 m-30 -96.11 47.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.508 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.66 142.76 49.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.666 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 5.6 t -82.54 128.44 34.3 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.28 22.3 4.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.902 -175.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 1.028 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.6 t-105 -78.85 132.08 65.33 Favored Pre-proline 0 C--N 1.326 -0.441 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.248 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 53.5 Cg_exo -57.1 -61.25 0.32 Allowed 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.035 2.49 . . . . 0.0 113.408 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -14.38 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 111.239 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.028 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.2 t -93.13 -73.35 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.92 56.97 2.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.534 0.683 . . . . 0.0 110.742 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 174.79 7.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.628 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.717 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -149.47 126.31 11.14 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -177.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.632 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.1 m-85 -126.87 169.12 13.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 112.454 -172.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 m -125.03 -9.5 7.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.96 171.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -101.46 120.25 40.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.927 179.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -22.63 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.48 -8.56 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.004 0.907 . . . . 0.0 109.954 -178.263 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -99.96 -43.11 6.49 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.477 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -74.09 -20.47 60.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.818 175.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HD3' ' A' ' 30' ' ' LYS . . . -71.18 -44.27 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.943 -0.473 . . . . 0.0 110.322 171.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 8.7 mt -65.6 -46.47 79.22 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.381 0.61 . . . . 0.0 109.818 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t60 -56.42 -40.03 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.77 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.621 HH21 ' HE3' ' A' ' 12' ' ' TRP . 10.8 mtp180 -81.98 -26.74 33.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.422 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -70.19 -39.82 75.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.281 0.562 . . . . 0.0 109.724 176.534 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.98 -13.06 62.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.261 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.5 m-70 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.338 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.67 ' HD3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -75.61 -27.72 8.81 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.394 2.063 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 1.047 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.1 m-30 -103.24 55.09 0.75 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.48 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.656 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 2.0 tt0 -75.13 120.88 21.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.072 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.65 129.31 39.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.66 28.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.885 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -92.33 127.07 50.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 54.1 Cg_exo -59.39 -63.5 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.939 2.426 . . . . 0.0 113.534 -172.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.955 0.407 . . . . 0.0 110.956 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.885 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 46.2 t -62.46 -60.94 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.899 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 59.93 59.28 2.49 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.424 0.63 . . . . 0.0 110.841 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 167.76 9.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.036 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.67 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 1.4 p -153.4 128.68 9.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 80.8 m-85 -123.9 155.16 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.344 0.592 . . . . 0.0 112.301 -172.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -6.97 11.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.262 168.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.11 113.51 26.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.969 178.02 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.57 78.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.389 . . . . 0.0 111.607 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -77.07 -11.77 59.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 110.771 -178.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -92.61 -50.23 5.7 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.729 176.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.047 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.39 -25.56 63.3 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.17 72.86 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.098 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -79.81 -35.1 38.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 178.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.541 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 22.4 t60 -58.84 -34.43 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.24 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.603 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -84.65 -27.64 26.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.366 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -36.25 76.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.859 177.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -91.0 13.28 17.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.153 0.502 . . . . 0.0 110.616 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.88 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 7.0 mttp . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.517 0.199 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.71 -28.99 9.24 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.276 1.984 . . . . 0.0 111.202 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.793 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.2 m-30 -93.3 50.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.621 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.68 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -72.1 133.51 45.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.1 t -71.78 130.81 42.0 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.37 16.1 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.828 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t-105 -83.21 122.17 77.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.846 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 33.4 Cg_exo -62.57 -48.31 7.62 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.986 2.457 . . . . 0.0 113.002 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.86 -17.99 64.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.264 0.554 . . . . 0.0 110.991 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.828 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.8 t -100.04 -67.66 0.84 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.601 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.92 63.28 0.83 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.454 0.645 . . . . 0.0 111.14 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -100.77 175.16 5.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.195 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.88 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -152.44 125.28 8.45 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -178.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.619 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 65.8 m-85 -123.15 166.3 15.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.488 0.661 . . . . 0.0 112.741 -170.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 -12.47 9.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.773 170.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.804 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.32 122.33 43.51 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.577 -179.606 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -27.48 63.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.88 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.473 ' O ' HD23 ' A' ' 27' ' ' LEU . 36.8 t70 -90.6 -7.36 52.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.742 0.782 . . . . 0.0 110.182 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.804 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -93.91 -44.47 8.07 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.879 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.793 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -76.46 -4.02 40.32 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 175.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.49 -48.95 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.817 -0.552 . . . . 0.0 110.791 170.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.4 pp -72.82 -36.61 67.56 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' HIS . 13.6 t60 -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.584 HH21 ' HE3' ' A' ' 12' ' ' TRP . 13.7 mtp180 -85.25 -23.87 28.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.253 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -42.17 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 109.856 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -74.31 -3.31 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.641 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.9 m-70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.933 0.397 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.48 -23.97 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.728 2.286 . . . . 0.0 111.363 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.856 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.6 m-30 -101.46 47.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.532 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.759 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -71.36 135.66 47.43 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 43.0 t -74.91 112.51 11.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 32.44 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.286 -176.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -87.53 121.29 71.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.552 174.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.5 -25.91 29.31 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.438 2.092 . . . . 0.0 112.778 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -88.29 -23.04 23.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.464 0.649 . . . . 0.0 110.39 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.943 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.1 t -100.29 -66.46 0.91 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.106 -176.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 67.18 58.56 0.55 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.448 0.642 . . . . 0.0 111.256 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -100.97 175.91 5.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.042 178.104 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.759 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.02 129.68 10.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 60.4 m-85 -124.64 165.35 18.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.694 0.759 . . . . 0.0 112.759 -172.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -17.24 10.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.269 -1.332 . . . . 0.0 108.55 172.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.688 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.05 119.86 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.563 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -25.98 59.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.653 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -84.26 -12.93 53.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.974 0.892 . . . . 0.0 109.689 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.688 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -95.78 -45.33 7.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.159 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.856 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.59 -20.24 60.66 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.423 176.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -71.07 -46.43 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.71 173.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -74.15 -34.95 64.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 23.6 t60 -63.36 -36.88 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.582 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -78.22 -26.37 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.822 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -66.47 -30.86 71.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.047 0.451 . . . . 0.0 109.866 174.612 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 -70.15 -16.45 63.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.021 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 38.7 m-70 . . . . . 0 N--CA 1.447 -0.597 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.492 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 2.6 mmmt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.25 0.547 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -73.27 -33.53 7.09 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.327 2.685 . . . . 0.0 111.819 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -92.85 46.6 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.697 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -68.61 138.09 54.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.167 -178.33 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 40.1 t -79.62 120.71 24.33 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.29 34.25 0.51 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.433 -176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 1.028 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.5 t-105 -91.76 134.66 28.69 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 39.5 Cg_exo -66.8 -57.88 0.18 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.726 2.284 . . . . 0.0 112.764 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -29.05 66.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.217 0.532 . . . . 0.0 110.689 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.028 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.6 t -81.25 -74.95 0.3 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.01 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 66.45 44.04 2.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.5 0.667 . . . . 0.0 111.041 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -84.5 170.77 13.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.143 178.632 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -144.33 127.01 16.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.291 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 50.1 m-85 -122.49 173.44 7.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.695 0.76 . . . . 0.0 112.591 -171.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.09 -7.02 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.225 173.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.66 122.87 44.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.145 176.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -26.93 64.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' O ' HD23 ' A' ' 27' ' ' LEU . 33.2 t70 -98.38 -18.91 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.627 0.727 . . . . 0.0 110.418 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.76 -41.06 27.38 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.893 -1.123 . . . . 0.0 110.549 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.27 -14.55 57.28 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.91 177.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.73 -42.93 39.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.039 -0.413 . . . . 0.0 111.074 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -78.11 -31.57 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.383 . . . . 0.0 110.102 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 19.1 t60 -63.78 -33.0 74.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.943 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 mtp180 -91.06 -15.81 28.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.288 -175.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.54 -27.17 41.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.303 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -24.74 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.455 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 12' ' ' TRP . 2.7 m-70 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.527 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.867 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 1.8 mmtm . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.46 -26.03 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.203 1.936 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.726 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -96.1 46.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.251 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.673 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.2 141.95 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 32.2 t -87.26 116.8 25.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.5 t -86.55 23.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.839 -175.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.971 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 3.2 t-105 -75.34 121.01 84.3 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.94 -44.18 37.42 Favored 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 122.756 2.304 . . . . 0.0 113.29 -173.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -77.99 -16.53 58.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.611 0.719 . . . . 0.0 110.613 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.971 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.9 t -99.1 -71.74 0.68 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.584 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t0 64.48 57.8 1.12 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 110.61 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.65 177.04 5.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.908 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.867 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 1.3 p -154.73 125.6 7.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.425 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 62.6 m-85 -123.96 164.05 20.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.456 0.646 . . . . 0.0 112.004 -174.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.17 -15.23 9.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.141 171.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.54 118.59 37.27 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.644 178.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -32.73 72.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -7.63 56.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.014 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -99.47 -46.43 5.48 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 118.664 -1.215 . . . . 0.0 111.466 176.213 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.93 -21.4 60.06 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.24 62.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.727 -0.608 . . . . 0.0 111.052 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.761 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.11 -36.52 35.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.239 0.542 . . . . 0.0 109.872 178.006 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.8 t60 -63.07 -30.95 72.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.482 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.5 mtp180 -90.23 -24.06 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.749 -176.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.761 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.05 -30.21 63.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.526 179.593 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -82.34 -9.3 59.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.121 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.8 m-70 . . . . . 0 C--N 1.332 -0.179 0 CA-C-O 121.16 0.505 . . . . 0.0 110.554 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.823 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 8.5 mmtt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.68 -27.97 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.266 1.977 . . . . 0.0 111.352 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.79 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -92.79 54.99 2.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.135 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.582 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -73.53 138.51 45.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.38 -176.518 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.3 t -80.69 115.99 20.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 174.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.95 29.24 0.47 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.79 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.888 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -87.47 125.02 66.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 173.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -66.81 -45.46 4.39 Favored 'Trans proline' 0 N--CA 1.473 0.275 0 C-N-CA 122.901 2.4 . . . . 0.0 112.713 -173.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -22.11 62.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.667 0.746 . . . . 0.0 110.874 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 4.3 t -97.44 -68.78 0.78 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.396 -176.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.06 55.98 1.86 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.825 0.822 . . . . 0.0 111.189 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.735 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 6.2 mpt_? -97.67 173.55 7.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.313 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.823 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 57.8 m -158.98 132.17 7.18 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.646 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 66.2 m-85 -123.75 174.12 7.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.409 0.623 . . . . 0.0 112.168 -172.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -5.03 9.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.156 170.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -102.57 122.02 43.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.394 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -19.14 58.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.64 -19.32 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.848 0.832 . . . . 0.0 109.599 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.628 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -80.59 -40.02 26.52 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.495 179.181 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -82.86 -7.06 59.69 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.97 175.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.31 16.42 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.833 -0.542 . . . . 0.0 110.451 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.3 -37.79 63.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.967 0.413 . . . . 0.0 110.011 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 40.1 t60 -58.24 -36.94 73.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.178 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.501 HH21 ' HE3' ' A' ' 12' ' ' TRP . 3.6 mtp180 -82.85 -20.5 35.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.85 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -35.75 64.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.45 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -20.93 66.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.816 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.492 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 17.4 m-70 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.946 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.565 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 3.2 mmtp . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.587 0.232 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -67.69 -27.77 37.98 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.0 1.8 . . . . 0.0 110.038 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.93 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 m-30 -94.34 52.86 1.62 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.371 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.524 ' OE1' ' HB3' ' A' ' 18' ' ' SER . 4.4 tp60 -78.56 127.87 32.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.429 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.656 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 19.5 t -67.4 128.57 36.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.579 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.34 14.81 7.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.159 -175.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.988 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -76.52 127.93 83.34 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.852 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -60.66 -52.82 3.31 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.965 2.443 . . . . 0.0 113.268 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -77.29 -15.13 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.296 0.569 . . . . 0.0 110.893 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.988 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 37.9 t -94.99 -75.99 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.884 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.22 66.48 0.95 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.656 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.76 170.6 9.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.113 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -143.44 126.25 16.15 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.28 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.678 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.1 m-85 -122.56 155.47 36.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.325 0.583 . . . . 0.0 112.16 -173.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -15.47 15.1 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.713 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.822 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.66 121.74 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.999 -178.169 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.79 62.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.082 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.457 ' O ' HD23 ' A' ' 27' ' ' LEU . 36.3 t70 -85.57 -6.76 59.13 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.79 0.805 . . . . 0.0 110.348 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -95.36 -45.61 7.06 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.048 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.93 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.61 -24.68 60.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.448 177.371 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.48 -42.78 74.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.934 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.779 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -77.36 -37.0 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.179 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.2 t60 -58.69 -36.63 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.146 176.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HA ' ' HD2' ' A' ' 32' ' ' HIS . 4.6 mtp180 -81.01 -31.28 34.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.894 -176.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.779 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.22 -30.0 60.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.143 0.497 . . . . 0.0 109.951 177.016 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 mmm-85 -68.89 -21.21 64.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.874 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.2 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.955 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.86 94.62 8.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.52 43.28 2.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.64 -15.72 33.57 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.923 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.71 80.82 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.658 0.742 . . . . 0.0 109.594 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.775 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER -119.18 149.03 46.37 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.723 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.24 -29.07 10.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.281 1.987 . . . . 0.0 111.091 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.861 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.7 m-30 -91.86 50.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.415 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.9 tp60 -77.31 126.19 30.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.613 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -68.0 127.96 34.78 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.57 27.36 1.75 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.941 -174.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -91.62 121.87 66.6 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -64.22 -48.88 4.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.986 2.457 . . . . 0.0 113.35 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -16.92 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.13 0.491 . . . . 0.0 110.811 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.807 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 48.4 t -88.6 -59.7 2.16 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.742 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.89 53.13 2.48 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.296 0.569 . . . . 0.0 111.209 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -100.78 157.71 16.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.529 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.775 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -146.66 128.87 15.7 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 64.6 m-85 -119.93 166.46 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -170.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -14.7 8.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.859 172.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.23 119.32 38.61 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.736 -179.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.4 61.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 0.0 111.28 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -87.48 -7.59 57.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.604 0.716 . . . . 0.0 110.231 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.656 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -101.92 -42.97 5.94 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.323 -1.351 . . . . 0.0 111.204 178.25 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.861 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.15 -21.16 60.76 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.316 177.177 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.42 72.64 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.204 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.31 -33.08 64.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.323 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 26.2 t60 -61.54 -32.94 73.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.808 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 10.8 mtp180 -86.85 -33.28 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.242 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -40.45 94.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.366 . . . . 0.0 110.588 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -17.99 60.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER -67.87 -45.81 73.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.409 0.623 . . . . 0.0 110.331 177.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.8 ptm -88.18 7.39 32.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.394 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.33 59.74 2.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.262 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.919 179.045 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -41.32 37.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.839 0.352 . . . . 0.0 110.511 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.34 87.04 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.326 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.49 -49.79 1.95 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.02 124.21 38.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 171.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.632 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 3.5 mmtp -79.74 143.65 58.86 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 120.962 0.41 . . . . 0.0 111.057 -175.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 4.5 Cg_exo -72.7 -24.78 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.089 2.526 . . . . 0.0 111.126 175.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.655 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -92.16 47.17 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -75.78 141.86 42.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.321 -177.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 37.1 t -80.34 122.76 27.32 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 22.0 1.42 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.977 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.969 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.3 t-105 -78.97 118.7 73.97 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -60.86 -38.24 71.55 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.828 2.352 . . . . 0.0 112.86 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -37.29 44.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.251 0.548 . . . . 0.0 110.511 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.969 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -81.54 -66.98 0.82 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.737 -174.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.61 54.32 1.45 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.348 0.594 . . . . 0.0 111.641 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.885 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.8 mpt_? -90.54 169.11 11.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.18 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.632 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -146.26 129.43 16.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.691 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.655 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 35.7 m-85 -124.19 173.65 8.19 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.19 0.519 . . . . 0.0 111.831 -173.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.02 -13.08 7.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.111 170.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 2.1 mtm-85 -102.41 123.03 45.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.363 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -22.99 59.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.733 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -92.55 -3.36 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.692 0.758 . . . . 0.0 110.28 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.783 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -102.19 -46.34 4.86 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.687 -1.205 . . . . 0.0 111.296 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.581 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -73.15 -18.35 61.28 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.046 178.271 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.51 -41.68 62.75 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.557 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 9.0 mt -72.47 -43.59 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.856 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.73 -38.2 77.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.464 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 7.7 mtp180 -76.87 -29.67 55.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -32.93 71.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.202 0.525 . . . . 0.0 109.855 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -74.96 -5.07 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.425 178.415 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 11.1 m-70 -82.01 -53.13 6.38 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 109.544 175.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -28.59 63.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt 54.76 59.0 4.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.06 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.249 1.076 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.677 179.651 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.06 -16.51 22.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.822 0.344 . . . . 0.0 110.731 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -73.51 96.48 2.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.788 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.76 -30.37 0.19 Allowed Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.559 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.6 mt -84.68 129.32 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.823 0.344 . . . . 0.0 110.138 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER -79.75 140.82 55.02 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.507 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -75.08 -33.0 4.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.518 2.145 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.7 m-30 -87.91 54.97 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.602 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -74.28 133.26 42.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.787 -178.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 39.8 t -72.43 120.87 18.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.41 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 31.55 0.46 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.502 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 1.033 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -92.15 125.41 56.73 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 22.3 Cg_exo -69.12 -38.19 9.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.58 -19.56 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.381 0.61 . . . . 0.0 110.745 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 1.033 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.9 t -101.16 -68.92 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.346 -176.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.76 54.64 0.81 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.511 0.672 . . . . 0.0 111.378 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -94.8 172.04 8.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.088 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.866 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -150.36 126.38 10.52 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.389 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 58.3 m-85 -121.59 170.8 9.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.614 0.721 . . . . 0.0 112.502 -171.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -13.44 7.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.851 171.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.863 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.84 123.67 46.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.65 178.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -28.99 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -83.08 -17.31 43.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.727 0.775 . . . . 0.0 109.962 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -88.19 -45.63 9.94 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.418 179.378 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.754 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -75.81 -13.09 60.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.825 177.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.003 171.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.6 pp -72.22 -35.08 68.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.084 0.469 . . . . 0.0 110.401 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -62.93 -37.15 85.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.807 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.698 HH21 ' HE3' ' A' ' 12' ' ' TRP . 4.3 mtp180 -79.72 -30.56 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.374 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.45 79.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -24.44 64.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.217 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.545 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 10.8 m-70 -63.18 -32.06 73.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.112 0.482 . . . . 0.0 111.117 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.6 mtm -80.59 -11.89 59.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.94 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -121.29 33.29 5.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.328 0.585 . . . . 0.0 110.567 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.355 177.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.04 -12.61 57.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 0.0 111.05 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.75 42.73 1.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.0 0.429 . . . . 0.0 110.742 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.27 -41.61 1.05 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.552 -0.833 . . . . 0.0 111.947 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.7 mm -79.34 99.88 3.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.613 0.721 . . . . 0.0 110.574 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.777 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.5 OUTLIER -79.51 157.3 75.06 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.366 178.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.98 -19.96 19.97 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.113 1.875 . . . . 0.0 111.203 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.67 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.1 m-30 -106.14 49.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.065 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -73.99 139.74 45.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.722 -176.309 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 7.4 t -77.27 122.72 25.47 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.25 25.1 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.712 -175.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.992 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.9 t-105 -79.99 126.06 80.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 42.6 Cg_exo -63.15 -45.57 12.11 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.77 2.313 . . . . 0.0 113.161 -173.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -18.08 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.965 0.412 . . . . 0.0 111.115 -176.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.5 t -94.83 -68.69 0.79 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.778 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 61.83 57.58 2.14 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 111.027 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.705 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 3.2 mpt_? -94.82 169.22 10.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.591 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.777 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -142.72 126.93 17.53 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.992 -0.443 . . . . 0.0 110.579 -177.733 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.67 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 77.5 m-85 -123.22 169.96 10.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.346 0.594 . . . . 0.0 111.94 -174.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.41 -8.67 8.06 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.031 172.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 128.5 50.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.022 -176.336 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -20.56 42.35 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.23 -22.11 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.745 0.783 . . . . 0.0 109.586 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.12 -44.0 22.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.689 177.422 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -79.37 -4.72 52.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.287 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.78 -48.7 9.13 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.519 -0.738 . . . . 0.0 110.668 170.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -34.9 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.729 0.3 . . . . 0.0 110.837 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.35 -36.17 79.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 109.886 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.783 HH21 ' HE3' ' A' ' 12' ' ' TRP . 5.9 mtp180 -81.47 -20.96 39.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.245 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -38.41 72.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -68.68 -11.62 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.336 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 6.8 m-70 -79.82 -41.47 26.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.283 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 ptp -86.81 -21.18 26.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.811 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.09 61.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.277 0.56 . . . . 0.0 110.272 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.201 -179.791 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 112.126 -0.39 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -55.81 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.973 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -119.27 74.08 0.97 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.107 0.479 . . . . 0.0 110.843 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.55 -31.19 5.89 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -101.56 115.5 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 4.2 mttp -107.32 140.61 21.65 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.875 -175.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -75.95 -31.64 4.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.541 2.16 . . . . 0.0 111.592 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.896 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.6 m-30 -88.61 53.49 2.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.277 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.8 OUTLIER -77.77 133.49 38.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.559 -176.019 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.4 t -76.64 121.78 23.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.665 175.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.54 26.66 1.05 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.134 -174.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 1.042 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.1 t-105 -82.18 134.57 48.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.39 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 38.3 Cg_exo -67.75 -51.43 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.928 2.419 . . . . 0.0 113.216 -174.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -10.8 57.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.478 0.656 . . . . 0.0 110.768 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 1.042 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 12.8 t -93.42 -66.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.628 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 63.24 54.78 1.99 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.223 0.535 . . . . 0.0 110.968 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.733 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.8 mpt_? -101.43 172.08 7.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.797 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.635 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -152.46 134.57 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 63.2 m-85 -129.93 174.32 9.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.5 0.667 . . . . 0.0 112.172 -173.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.72 -5.17 4.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.85 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.756 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 117.37 34.63 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.447 -179.819 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -18.73 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.855 0.359 . . . . 0.0 111.868 -178.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.69 -9.35 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.598 0.713 . . . . 0.0 110.227 -178.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.756 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -101.33 -44.06 5.76 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 118.41 -1.316 . . . . 0.0 111.37 -177.3 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.896 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -72.88 -21.41 60.93 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 175.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -40.73 66.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.411 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 3.0 mt -72.32 -43.75 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.167 0.508 . . . . 0.0 110.099 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 14.6 t60 -57.88 -40.12 79.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.409 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.4 mtp180 -78.35 -27.48 47.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -42.55 93.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -61.95 -22.62 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.272 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 15.5 m-70 -73.36 -47.57 41.25 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.561 178.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.0 ptm -82.27 -22.38 35.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.055 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.5 63.79 3.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.33 0.586 . . . . 0.0 110.399 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.181 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.149 -0.38 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.97 -16.87 28.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.093 0.473 . . . . 0.0 110.64 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.19 95.35 4.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.945 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.67 -43.47 3.13 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.7 114.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 0.0 110.063 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 5.8 mmpp? -79.16 151.6 75.78 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.618 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 2.9 Cg_exo -67.11 -28.97 40.49 Favored 'Trans proline' 0 CA--C 1.517 -0.363 0 C-N-CA 122.592 2.194 . . . . 0.0 110.51 176.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.78 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -94.91 44.91 1.1 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.364 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.759 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -74.59 127.62 33.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 16.3 t -68.98 121.7 17.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.4 18.49 3.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.904 -175.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.945 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -72.27 127.22 90.57 Favored Pre-proline 0 N--CA 1.453 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -52.74 -59.99 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.493 2.795 . . . . 0.0 113.439 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.22 -39.57 63.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.838 0.351 . . . . 0.0 111.253 -177.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.945 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 7.7 t -63.56 -73.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.525 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 63.5 63.59 0.87 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.48 0.657 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.797 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 5.1 mpt_? -100.35 -178.99 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.814 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.759 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -160.01 130.29 5.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.651 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -125.15 165.18 18.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.368 0.604 . . . . 0.0 112.25 -172.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -115.51 -17.45 11.2 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.596 -1.184 . . . . 0.0 108.834 170.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.642 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -100.71 127.29 47.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 177.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -27.88 61.33 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.876 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.7 p-10 -81.32 -5.9 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.276 0.56 . . . . 0.0 110.817 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.642 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.18 -50.32 4.0 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.117 177.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.84 -14.59 62.46 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.374 179.159 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.7 -43.52 37.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.044 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.1 pp -77.28 -35.48 55.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.21 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 11.7 t60 -61.67 -36.65 81.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.743 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.5 mtp180 -79.97 -23.48 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.88 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -38.64 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.941 0.401 . . . . 0.0 110.102 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -11.87 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.8 m-70 -81.58 -52.39 7.25 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.416 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.631 ' HG3' ' HG ' ' A' ' 34' ' ' LEU . 12.3 ptm -73.45 -25.33 60.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.284 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 33' ' ' MET . 2.2 mt -112.54 71.79 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.437 0.637 . . . . 0.0 110.167 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.073 178.271 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -94.84 137.58 33.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.91 53.55 1.7 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.22 0.533 . . . . 0.0 110.787 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.57 31.78 6.21 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.0 mm -113.71 91.52 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 39.2 mmtt -131.82 154.35 81.74 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.88 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.2 -29.52 11.47 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 121.926 1.751 . . . . 0.0 110.84 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.719 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -97.83 56.16 1.24 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.658 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -75.68 138.05 41.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.309 -177.285 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 10.6 t -81.86 128.53 34.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.632 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.33 32.64 1.03 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.992 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 1.013 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.0 t-105 -90.59 129.44 44.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 45.3 Cg_exo -61.28 -58.44 0.44 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.767 2.311 . . . . 0.0 113.237 -174.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.31 -34.7 75.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.076 0.465 . . . . 0.0 110.76 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 1.013 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 2.8 t -75.75 -73.07 0.28 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.049 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.9 t0 61.99 59.98 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 110.787 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -99.86 170.54 8.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.76 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -146.88 129.87 16.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.637 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 67.1 m-85 -123.97 168.2 13.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.419 0.628 . . . . 0.0 112.227 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.29 -8.1 8.7 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.265 169.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.636 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.3 114.97 29.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.604 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -25.05 60.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.86 0.362 . . . . 0.0 111.74 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.23 -3.86 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.445 0.64 . . . . 0.0 110.228 -179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -100.22 -51.82 3.56 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 118.644 -1.223 . . . . 0.0 111.526 175.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -66.32 -18.31 65.28 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.707 178.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.15 -48.64 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.259 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.7 pp -72.87 -33.84 66.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.058 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.1 t60 -59.54 -36.13 75.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.677 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.8 mtp180 -83.87 -28.39 28.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.461 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -42.02 87.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.746 0.308 . . . . 0.0 110.776 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.62 -6.44 53.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -69.36 -39.47 78.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.8 ptp -88.09 12.5 13.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.537 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.38 55.8 0.8 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.862 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.703 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.86 135.94 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 174.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.32 115.45 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.149 0.5 . . . . 0.0 111.878 -175.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.08 -35.47 5.04 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.86 97.4 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.646 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 28.1 mttp -77.88 141.94 64.41 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.28 -172.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.9 -21.38 18.61 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.033 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.7 m-30 -99.78 54.16 0.93 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.972 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.573 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.23 138.9 36.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.117 -177.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.4 t -74.11 124.02 25.51 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.413 176.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.61 21.72 2.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.005 -175.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.817 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.9 t-105 -84.4 119.02 72.54 Favored Pre-proline 0 C--N 1.331 -0.204 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -59.25 -44.9 30.33 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.886 2.39 . . . . 0.0 113.55 -173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.36 -13.36 60.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 110.824 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.817 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 40.6 t -101.31 -73.54 0.65 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.961 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t0 64.42 59.68 0.98 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 172.65 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.784 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.646 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 10.4 p -147.41 131.68 17.48 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.737 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.636 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 85.0 m-85 -130.49 -178.89 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.2 0.524 . . . . 0.0 111.215 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.16 -2.49 4.52 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.85 172.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.58 123.6 47.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.556 -179.251 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -14.52 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -175.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 6.0 t70 -111.56 -16.66 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.567 0.699 . . . . 0.0 109.847 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.92 -37.69 17.39 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.683 -1.207 . . . . 0.0 110.69 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.636 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.35 -17.13 52.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.35 173.323 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.49 61.52 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.969 168.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.62 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 mt -66.13 -41.88 89.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.324 0.583 . . . . 0.0 109.971 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 7.3 t60 -61.84 -36.25 80.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.286 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -82.32 -22.29 35.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.703 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -65.48 -38.51 90.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.474 177.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -72.24 -14.97 61.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.978 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 12.0 m-70 -71.97 -34.79 69.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.545 0.688 . . . . 0.0 109.853 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.5 mtm -81.15 -18.02 47.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.2 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 57.43 55.14 5.95 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.339 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.8 -177.733 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.71 -5.52 59.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.167 0.508 . . . . 0.0 110.262 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.0 119.85 10.89 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.512 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.2 32.46 3.11 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.704 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.4 mt -99.26 130.17 48.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.865 0.364 . . . . 0.0 110.226 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD2' ' HD2' ' A' ' 7' ' ' PRO . 22.3 mmtt -120.59 152.94 56.25 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.855 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD2' ' HD2' ' A' ' 6' ' ' LYS . 57.2 Cg_endo -71.58 -23.43 23.22 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.964 1.776 . . . . 0.0 110.561 176.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.786 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 m-30 -101.33 47.72 0.9 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.357 176.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.627 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.4 tp60 -75.13 134.2 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.151 -178.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 1.6 t -73.26 126.53 30.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.9 19.3 3.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.983 -174.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 1.009 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -77.96 129.7 75.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 34.2 Cg_exo -63.11 -54.77 0.96 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.937 2.425 . . . . 0.0 112.794 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.73 -24.96 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.358 0.599 . . . . 0.0 111.157 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 1.009 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 39.1 t -89.08 -69.65 0.7 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.97 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t0 59.52 65.51 1.15 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.965 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.817 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 1.5 mpt_? -100.52 172.98 6.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.023 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.627 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -148.25 126.4 12.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.742 0.306 . . . . 0.0 110.221 -179.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.701 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.3 m-85 -122.19 167.67 12.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.275 0.56 . . . . 0.0 111.402 -174.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -5.96 10.87 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 171.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.588 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.21 125.31 48.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.74 -177.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -24.07 38.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.27 -5.92 22.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.829 0.824 . . . . 0.0 109.985 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.29 -42.64 9.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.096 177.123 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.786 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -77.22 -23.53 51.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.474 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -70.05 -41.98 73.46 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.628 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.73 -30.56 56.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 177.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.598 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 27.9 t60 -60.76 -35.14 75.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.485 174.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.45 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -86.53 -12.09 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -77.34 -46.38 23.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.387 176.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -15.13 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -47.95 81.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.725 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.1 ptm -88.94 8.54 28.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.99 55.23 6.26 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.349 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.411 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.73 6.08 16.51 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 102.46 6.99 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.01 -10.12 30.82 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.575 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.74 107.71 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.052 0.453 . . . . 0.0 110.274 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 22.7 mmtt -126.73 152.82 75.46 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.323 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.98 -28.95 8.76 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.231 1.954 . . . . 0.0 111.027 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.64 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -97.0 53.54 1.2 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.996 177.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -80.17 141.46 35.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.319 -176.161 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 2.5 t -81.22 121.32 26.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.95 25.55 2.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.954 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.975 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.8 t-105 -77.1 131.26 73.07 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 176.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 72.7 Cg_exo -58.17 -54.19 3.39 Favored 'Trans proline' 0 N--CA 1.474 0.331 0 C-N-CA 123.048 2.498 . . . . 0.0 113.889 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.71 -15.05 50.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 111.164 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.975 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.3 t -92.69 -74.07 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.898 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.13 64.75 1.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.451 0.644 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.541 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.94 175.95 6.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.32 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.691 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.37 127.09 8.8 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.521 -177.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 29.9 m-85 -124.9 172.78 9.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.087 0.47 . . . . 0.0 111.129 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 -14.0 7.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.997 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.669 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.47 129.57 47.55 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.811 179.51 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -26.41 46.87 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.748 -177.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 t70 -86.37 -8.34 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.714 0.768 . . . . 0.0 110.113 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -100.76 -40.37 7.37 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 118.675 -1.21 . . . . 0.0 111.364 -178.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -78.37 -17.75 56.04 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 176.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.04 -36.47 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.085 -0.384 . . . . 0.0 110.209 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.657 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.7 mt -67.93 -49.17 63.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 109.308 175.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 55.6 t60 -56.97 -43.46 81.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.9 mtp180 -79.08 -25.01 43.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.829 -175.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.94 -26.6 57.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.224 0.535 . . . . 0.0 109.685 175.498 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.97 -19.63 61.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.582 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m-70 -74.94 -47.99 26.83 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.272 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -72.22 -16.4 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.954 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.71 72.82 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.193 0.521 . . . . 0.0 110.443 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.591 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.26 134.42 38.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.26 48.75 0.92 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.956 0.408 . . . . 0.0 110.977 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.0 -29.83 45.05 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.097 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.0 mt -80.65 117.35 26.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.925 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.6 OUTLIER -108.47 144.76 30.16 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.321 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -74.95 -31.95 5.86 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.215 1.944 . . . . 0.0 111.087 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.684 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.6 m-30 -92.38 47.54 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.247 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.743 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 1.5 tt0 -77.37 134.21 38.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.07 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 4.7 t -74.62 128.73 36.27 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 11.67 22.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.992 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.976 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.9 t-105 -70.29 126.53 92.37 Favored Pre-proline 0 C--N 1.33 -0.251 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.411 178.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -58.84 -56.48 1.41 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.18 2.586 . . . . 0.0 113.745 -173.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -4.66 51.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.168 0.509 . . . . 0.0 111.069 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.976 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.2 t -100.15 -73.73 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.259 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.9 t0 65.7 57.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.559 0.695 . . . . 0.0 110.773 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.611 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.578 177.395 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.925 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -153.18 129.5 10.54 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.211 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 79.9 m-85 -128.38 174.02 9.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.914 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -5.49 5.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.625 168.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.814 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -102.45 125.45 49.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.457 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -26.18 56.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.968 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -87.34 -19.52 28.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.907 0.861 . . . . 0.0 109.75 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.814 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -84.72 -46.33 11.55 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.991 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -77.84 -17.02 57.86 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.688 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.41 -43.64 48.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.904 172.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -73.74 -37.33 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.113 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.462 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 20.7 t60 -61.6 -33.05 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.197 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 5.4 mtp180 -87.57 -31.37 19.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.795 -176.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.7 -31.01 70.67 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.528 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 4.9 ptm180 -78.6 -10.18 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 m-70 -73.57 -32.14 63.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.416 0.627 . . . . 0.0 109.37 175.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.6 mtt -79.33 -20.78 47.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.993 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 tp -132.92 87.08 2.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.174 -176.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.94 146.56 35.01 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.47 129.4 35.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.996 0.427 . . . . 0.0 110.811 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.39 -22.6 47.06 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 175.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.3 132.71 31.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.625 -0.788 . . . . 0.0 109.725 174.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -88.96 141.46 29.59 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -175.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -79.86 -29.37 2.78 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.749 2.3 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.883 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.8 m-30 -93.74 57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.663 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -71.68 133.47 45.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.033 -175.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -74.89 127.6 33.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.372 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.34 30.56 2.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.047 -175.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.866 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -88.14 129.71 48.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -58.79 -61.14 0.27 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.813 2.342 . . . . 0.0 113.319 -173.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -32.02 73.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.235 0.541 . . . . 0.0 111.191 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.866 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 42.4 t -76.94 -68.59 0.59 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.065 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 59.36 62.87 1.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.84 ' HD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -101.16 178.96 4.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -155.94 128.12 7.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.206 -178.18 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.8 m-85 -127.15 170.52 12.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.594 0.712 . . . . 0.0 111.957 -174.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.41 -5.69 5.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.619 172.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.726 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -103.04 116.19 32.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.557 -1.202 . . . . 0.0 110.356 -178.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -19.49 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.93 -12.58 23.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.715 0.769 . . . . 0.0 109.871 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.726 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -96.24 -44.37 7.3 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.485 -178.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.4 -14.68 61.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.605 176.042 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.89 -47.48 45.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 0.0 111.075 173.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 24' ' ' HIS . 3.2 pp -73.44 -34.97 65.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.265 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.483 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.4 t60 -59.0 -33.84 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.932 175.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 8.7 mtp180 -90.17 -26.61 20.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.567 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -43.32 79.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.704 0.288 . . . . 0.0 110.484 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -10.38 59.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -65.64 -44.41 86.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.554 177.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -85.1 8.73 17.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.097 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.2 55.1 0.66 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.341 0.591 . . . . 0.0 110.251 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.01 150.57 35.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.76 0.314 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.08 138.58 58.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.91 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.09 -45.99 5.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.474 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 mt -68.64 120.93 16.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.921 0.391 . . . . 0.0 109.98 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.717 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 0.7 OUTLIER -79.46 147.64 68.47 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.877 -176.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -69.87 -33.05 16.94 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.8 2.334 . . . . 0.0 110.937 177.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.797 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.1 m-30 -96.11 47.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.508 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.691 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.66 142.76 49.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.666 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 5.6 t -82.54 128.44 34.3 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.28 22.3 4.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.902 -175.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 1.028 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 4.6 t-105 -78.85 132.08 65.33 Favored Pre-proline 0 C--N 1.326 -0.441 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.248 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 53.5 Cg_exo -57.1 -61.25 0.32 Allowed 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.035 2.49 . . . . 0.0 113.408 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -14.38 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 111.239 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 1.028 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 44.2 t -93.13 -73.35 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.92 56.97 2.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.534 0.683 . . . . 0.0 110.742 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 174.79 7.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.628 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.717 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -149.47 126.31 11.14 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -177.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.632 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 62.1 m-85 -126.87 169.12 13.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 112.454 -172.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 m -125.03 -9.5 7.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.96 171.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 1.0 OUTLIER -101.46 120.25 40.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.927 179.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -22.63 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.48 -8.56 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.004 0.907 . . . . 0.0 109.954 -178.263 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -99.96 -43.11 6.49 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 118.606 -1.238 . . . . 0.0 111.477 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -74.09 -20.47 60.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.818 175.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HD3' ' A' ' 30' ' ' LYS . . . -71.18 -44.27 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.943 -0.473 . . . . 0.0 110.322 171.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 23' ' ' ASP . 8.7 mt -65.6 -46.47 79.22 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.381 0.61 . . . . 0.0 109.818 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t60 -56.42 -40.03 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.77 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.621 HH21 ' HE3' ' A' ' 12' ' ' TRP . 10.8 mtp180 -81.98 -26.74 33.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.422 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -70.19 -39.82 75.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.281 0.562 . . . . 0.0 109.724 176.534 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.98 -13.06 62.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.261 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.5 m-70 -70.36 -25.87 63.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.338 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.2 mtm -66.77 -34.96 78.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.133 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 56.6 49.15 15.16 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.417 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.804 178.183 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.11 103.8 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.23 130.08 41.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.021 0.439 . . . . 0.0 111.576 -177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.76 -22.88 10.5 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.8 mm -100.16 110.77 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.02 0.438 . . . . 0.0 110.291 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.67 ' HD3' ' HB2' ' A' ' 18' ' ' SER . 0.2 OUTLIER -118.93 147.1 41.7 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.08 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -75.61 -27.72 8.81 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.394 2.063 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 1.047 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.1 m-30 -103.24 55.09 0.75 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.48 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.656 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 2.0 tt0 -75.13 120.88 21.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.072 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.65 129.31 39.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.66 28.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.885 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -92.33 127.07 50.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 54.1 Cg_exo -59.39 -63.5 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.939 2.426 . . . . 0.0 113.534 -172.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.955 0.407 . . . . 0.0 110.956 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.885 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 46.2 t -62.46 -60.94 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.899 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 t70 59.93 59.28 2.49 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.424 0.63 . . . . 0.0 110.841 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 167.76 9.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.036 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.67 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 1.4 p -153.4 128.68 9.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 80.8 m-85 -123.9 155.16 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.344 0.592 . . . . 0.0 112.301 -172.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -6.97 11.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.262 168.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -102.11 113.51 26.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.969 178.02 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.57 78.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.389 . . . . 0.0 111.607 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -77.07 -11.77 59.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 110.771 -178.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -92.61 -50.23 5.7 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.729 176.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.047 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -70.39 -25.56 63.3 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.17 72.86 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.098 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -79.81 -35.1 38.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 178.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.541 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 22.4 t60 -58.84 -34.43 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.24 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.603 HH21 ' HE3' ' A' ' 12' ' ' TRP . 8.4 mtp180 -84.65 -27.64 26.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.366 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -36.25 76.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.859 177.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -91.0 13.28 17.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.153 0.502 . . . . 0.0 110.616 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.09 1.3 53.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 47.7 mtm -72.69 -26.57 61.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -138.6 8.42 2.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.402 0.62 . . . . 0.0 111.395 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.235 173.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -75.22 100.39 4.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.115 0.483 . . . . 0.0 110.655 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.88 121.83 27.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.064 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.84 -26.13 8.14 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.55 111.17 26.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.951 0.405 . . . . 0.0 110.032 177.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.88 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 7.0 mttp -102.64 142.61 24.93 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.494 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.71 -28.99 9.24 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.276 1.984 . . . . 0.0 111.202 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.793 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.2 m-30 -93.3 50.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.621 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.68 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -72.1 133.51 45.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.1 t -71.78 130.81 42.0 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.37 16.1 9.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.828 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t-105 -83.21 122.17 77.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.846 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 33.4 Cg_exo -62.57 -48.31 7.62 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.986 2.457 . . . . 0.0 113.002 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.86 -17.99 64.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.264 0.554 . . . . 0.0 110.991 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.828 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.8 t -100.04 -67.66 0.84 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.601 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.92 63.28 0.83 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.454 0.645 . . . . 0.0 111.14 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -100.77 175.16 5.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.195 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.88 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -152.44 125.28 8.45 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -178.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.619 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 65.8 m-85 -123.15 166.3 15.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.488 0.661 . . . . 0.0 112.741 -170.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 -12.47 9.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.773 170.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.804 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -101.32 122.33 43.51 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.577 -179.606 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -27.48 63.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.88 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.473 ' O ' HD23 ' A' ' 27' ' ' LEU . 36.8 t70 -90.6 -7.36 52.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.742 0.782 . . . . 0.0 110.182 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.804 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -93.91 -44.47 8.07 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.879 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.793 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -76.46 -4.02 40.32 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 175.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.49 -48.95 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.817 -0.552 . . . . 0.0 110.791 170.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 23' ' ' ASP . 1.4 pp -72.82 -36.61 67.56 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' HIS . 13.6 t60 -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.584 HH21 ' HE3' ' A' ' 12' ' ' TRP . 13.7 mtp180 -85.25 -23.87 28.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.253 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -42.17 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 109.856 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -74.31 -3.31 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.641 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.9 m-70 -75.14 -27.54 59.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.9 mtp -76.4 -14.63 60.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.76 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.01 54.12 10.16 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.365 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.121 -0.943 . . . . 0.0 110.165 177.253 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -41.65 20.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.017 0.436 . . . . 0.0 110.618 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.5 137.35 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.469 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.38 -12.88 62.42 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.834 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.61 105.72 3.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.96 143.2 28.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -175.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.48 -23.97 10.97 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.728 2.286 . . . . 0.0 111.363 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.856 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.6 m-30 -101.46 47.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.532 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.759 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -71.36 135.66 47.43 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 43.0 t -74.91 112.51 11.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 32.44 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.286 -176.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 5.1 t-105 -87.53 121.29 71.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.552 174.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.5 -25.91 29.31 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.438 2.092 . . . . 0.0 112.778 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -88.29 -23.04 23.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.464 0.649 . . . . 0.0 110.39 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.943 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 1.1 t -100.29 -66.46 0.91 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.106 -176.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 67.18 58.56 0.55 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.448 0.642 . . . . 0.0 111.256 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -100.97 175.91 5.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.042 178.104 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.759 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -153.02 129.68 10.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 60.4 m-85 -124.64 165.35 18.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.694 0.759 . . . . 0.0 112.759 -172.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -17.24 10.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.269 -1.332 . . . . 0.0 108.55 172.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.688 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.05 119.86 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.563 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -25.98 59.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.653 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -84.26 -12.93 53.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.974 0.892 . . . . 0.0 109.689 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.688 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -95.78 -45.33 7.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.159 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.856 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.59 -20.24 60.66 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.423 176.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 30' ' ' LYS . . . -71.07 -46.43 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.71 173.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -74.15 -34.95 64.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.494 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 23.6 t60 -63.36 -36.88 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.582 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.2 mtp180 -78.22 -26.37 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.822 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -66.47 -30.86 71.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.047 0.451 . . . . 0.0 109.866 174.612 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 -70.15 -16.45 63.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.021 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 38.7 m-70 -83.15 -45.11 14.32 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.492 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.4 ptm -81.81 -22.27 37.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.026 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.57 67.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.354 0.597 . . . . 0.0 109.902 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.241 179.626 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.09 77.22 9.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.237 0.541 . . . . 0.0 111.027 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.11 33.83 0.45 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.129 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.82 -22.49 30.65 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.04 131.21 35.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.314 -0.443 . . . . 0.0 109.822 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 2.6 mmmt -94.36 142.16 24.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 121.25 0.547 . . . . 0.0 110.674 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 3.2 Cg_exo -73.27 -33.53 7.09 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.327 2.685 . . . . 0.0 111.819 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -92.85 46.6 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.697 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -68.61 138.09 54.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.167 -178.33 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 40.1 t -79.62 120.71 24.33 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.29 34.25 0.51 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.433 -176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 1.028 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.5 t-105 -91.76 134.66 28.69 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 39.5 Cg_exo -66.8 -57.88 0.18 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.726 2.284 . . . . 0.0 112.764 -174.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -29.05 66.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.217 0.532 . . . . 0.0 110.689 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 1.028 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 9.6 t -81.25 -74.95 0.3 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.01 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 66.45 44.04 2.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.5 0.667 . . . . 0.0 111.041 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -84.5 170.77 13.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.143 178.632 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -144.33 127.01 16.13 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.291 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CG ' ' HB2' ' A' ' 25' ' ' LEU . 50.1 m-85 -122.49 173.44 7.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.695 0.76 . . . . 0.0 112.591 -171.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.09 -7.02 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.225 173.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -101.66 122.87 44.7 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.145 176.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -26.93 64.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' O ' HD23 ' A' ' 27' ' ' LEU . 33.2 t70 -98.38 -18.91 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.627 0.727 . . . . 0.0 110.418 -177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.76 -41.06 27.38 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.893 -1.123 . . . . 0.0 110.549 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.27 -14.55 57.28 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.91 177.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.73 -42.93 39.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.039 -0.413 . . . . 0.0 111.074 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -78.11 -31.57 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.383 . . . . 0.0 110.102 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 19.1 t60 -63.78 -33.0 74.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.943 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 mtp180 -91.06 -15.81 28.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.288 -175.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.54 -27.17 41.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.303 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -24.74 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.455 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 12' ' ' TRP . 2.7 m-70 -61.78 -43.48 98.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.527 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.473 ' HG3' HG23 ' A' ' 35' ' ' VAL . 16.4 ptt? -73.56 -1.03 17.0 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.878 -173.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 57.64 52.1 8.7 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.991 174.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' A' ' 33' ' ' MET . 95.8 t . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.707 175.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.01 163.68 25.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.595 0.236 . . . . 0.0 110.396 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.12 77.24 8.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.371 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.51 1.81 6.51 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.21 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mt -81.94 69.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.782 0.801 . . . . 0.0 110.169 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.867 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 1.8 mmtm -103.9 151.35 38.87 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.534 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.46 -26.03 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.203 1.936 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.726 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.2 m-30 -96.1 46.96 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.251 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.673 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -71.2 141.95 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 -178.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 32.2 t -87.26 116.8 25.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.5 t -86.55 23.29 1.67 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.839 -175.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.971 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 3.2 t-105 -75.34 121.01 84.3 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.94 -44.18 37.42 Favored 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 122.756 2.304 . . . . 0.0 113.29 -173.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -77.99 -16.53 58.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.611 0.719 . . . . 0.0 110.613 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.971 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 32.9 t -99.1 -71.74 0.68 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.584 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t0 64.48 57.8 1.12 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 110.61 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.65 177.04 5.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.908 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.867 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 1.3 p -154.73 125.6 7.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.425 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 62.6 m-85 -123.96 164.05 20.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.456 0.646 . . . . 0.0 112.004 -174.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.17 -15.23 9.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.141 171.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.54 118.59 37.27 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.644 178.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -32.73 72.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -7.63 56.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.014 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -99.47 -46.43 5.48 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 118.664 -1.215 . . . . 0.0 111.466 176.213 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.93 -21.4 60.06 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.24 62.74 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.727 -0.608 . . . . 0.0 111.052 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.761 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.11 -36.52 35.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.239 0.542 . . . . 0.0 109.872 178.006 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.8 t60 -63.07 -30.95 72.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.482 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 6.5 mtp180 -90.23 -24.06 21.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.749 -176.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.761 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.05 -30.21 63.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.526 179.593 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -82.34 -9.3 59.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.121 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 1.8 m-70 -70.17 -31.2 68.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.16 0.505 . . . . 0.0 110.554 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.422 ' H ' ' HG3' ' A' ' 33' ' ' MET . 10.4 mtt -70.81 -26.33 63.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.048 -175.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.77 58.28 2.43 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.682 0.614 . . . . 0.0 110.995 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.276 178.514 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.61 83.18 6.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.157 0.503 . . . . 0.0 110.243 178.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.48 44.95 1.0 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.325 0.583 . . . . 0.0 110.42 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.32 1.17 34.93 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.145 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mm -81.02 111.71 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.927 0.394 . . . . 0.0 110.108 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.823 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 8.5 mmtt -128.44 153.33 79.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.186 -176.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.68 -27.97 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.266 1.977 . . . . 0.0 111.352 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.79 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -92.79 54.99 2.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.135 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.582 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -73.53 138.51 45.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.38 -176.518 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 12' ' ' TRP . 9.3 t -80.69 115.99 20.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 174.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.95 29.24 0.47 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.79 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.888 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 1.4 t-105 -87.47 125.02 66.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 173.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -66.81 -45.46 4.39 Favored 'Trans proline' 0 N--CA 1.473 0.275 0 C-N-CA 122.901 2.4 . . . . 0.0 112.713 -173.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -22.11 62.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.667 0.746 . . . . 0.0 110.874 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 4.3 t -97.44 -68.78 0.78 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.396 -176.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.06 55.98 1.86 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.825 0.822 . . . . 0.0 111.189 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.735 ' HD3' ' SG ' ' A' ' 15' ' ' CYS . 6.2 mpt_? -97.67 173.55 7.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.313 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.823 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 57.8 m -158.98 132.17 7.18 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.646 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 66.2 m-85 -123.75 174.12 7.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.409 0.623 . . . . 0.0 112.168 -172.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -5.03 9.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.156 170.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -102.57 122.02 43.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.394 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -19.14 58.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.64 -19.32 16.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.848 0.832 . . . . 0.0 109.599 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.628 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -80.59 -40.02 26.52 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.495 179.181 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -82.86 -7.06 59.69 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.97 175.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.31 16.42 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.833 -0.542 . . . . 0.0 110.451 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.3 -37.79 63.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.967 0.413 . . . . 0.0 110.011 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 40.1 t60 -58.24 -36.94 73.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.178 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.501 HH21 ' HE3' ' A' ' 12' ' ' TRP . 3.6 mtp180 -82.85 -20.5 35.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.85 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -35.75 64.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.45 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -20.93 66.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.816 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.492 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 17.4 m-70 -71.85 -42.63 66.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.946 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -92.77 -16.77 25.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.501 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.71 60.94 1.85 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.125 0.488 . . . . 0.0 110.7 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.894 179.238 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.07 45.76 1.02 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.275 0.559 . . . . 0.0 110.68 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.15 76.62 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.351 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.33 -35.41 8.77 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.447 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.48 ' HA ' HD12 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -74.39 137.37 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.309 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.565 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 3.2 mmtp -107.13 156.65 37.12 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.744 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -67.69 -27.77 37.98 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.0 1.8 . . . . 0.0 110.038 172.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.93 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 m-30 -94.34 52.86 1.62 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.371 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.524 ' OE1' ' HB3' ' A' ' 18' ' ' SER . 4.4 tp60 -78.56 127.87 32.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.429 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.656 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 19.5 t -67.4 128.57 36.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.579 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.34 14.81 7.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.159 -175.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.988 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 2.2 t-105 -76.52 127.93 83.34 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.852 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 12' ' ' TRP . 52.4 Cg_exo -60.66 -52.82 3.31 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.965 2.443 . . . . 0.0 113.268 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -77.29 -15.13 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.296 0.569 . . . . 0.0 110.893 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.988 ' HB3' ' HB3' ' A' ' 12' ' ' TRP . 37.9 t -94.99 -75.99 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.884 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.22 66.48 0.95 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.656 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.76 170.6 9.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.113 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -143.44 126.25 16.15 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.28 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.678 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 60.1 m-85 -122.56 155.47 36.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.325 0.583 . . . . 0.0 112.16 -173.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -15.47 15.1 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.713 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.822 ' HB2' ' HB2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -101.66 121.74 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.999 -178.169 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.79 62.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.082 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.457 ' O ' HD23 ' A' ' 27' ' ' LEU . 36.3 t70 -85.57 -6.76 59.13 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.79 0.805 . . . . 0.0 110.348 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -95.36 -45.61 7.06 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.048 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.93 HD22 ' HB3' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -73.61 -24.68 60.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.448 177.371 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.48 -42.78 74.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.934 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.779 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -77.36 -37.0 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.179 178.584 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 15.2 t60 -58.69 -36.63 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.146 176.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.58 ' HA ' ' HD2' ' A' ' 32' ' ' HIS . 4.6 mtp180 -81.01 -31.28 34.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.894 -176.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.779 ' HD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.22 -30.0 60.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.143 0.497 . . . . 0.0 109.951 177.016 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 34' ' ' LEU . 22.5 mmm-85 -68.89 -21.21 64.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.874 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.2 m-70 -64.75 -30.04 71.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.955 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.92 -6.61 53.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.625 -176.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 31' ' ' ARG . 2.8 mt -103.77 29.16 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 176.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.4 -179.045 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_