data_6beo_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 6beo _Structure_validation_residue.Date_analyzed 2017-12-22 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 ' 2' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo . . . . . 0 N--CA 1.45 -1.081 0 N-CA-C 114.714 1.005 . . . . 0.0 114.714 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 125.401 2.524 . . . . 0.0 108.542 175.409 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.449 -1.101 0 CA-C-O 116.894 -1.377 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -54.65 -42.89 71.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.059 2.099 . . . . 0.0 112.18 -158.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -88.11 -12.51 43.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 129.658 3.183 . . . . 0.0 110.856 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 tp . . . . . 0 CA--C 1.518 -0.266 0 CA-C-N 121.605 2.002 . . . . 0.0 113.81 166.693 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo . . . . . 0 N--CA 1.451 -1.014 0 N-CA-C 115.422 1.278 . . . . 0.0 115.422 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.446 -0.625 0 C-N-CA 130.316 3.446 . . . . 0.0 103.939 -178.13 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 0 N--CA 1.447 -1.224 0 N-CA-C 113.409 0.503 . . . . 0.0 113.409 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -56.78 -48.0 78.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 130.273 3.429 . . . . 0.0 110.94 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.28 32.2 m-20 -71.94 -13.05 61.53 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 175.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 N--CA 1.45 -0.442 0 O-C-N 118.888 -2.382 . . . . 0.0 113.1 177.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 117.041 1.9 . . . . 0.0 117.041 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 116.496 -1.716 . . . . 0.0 112.17 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo . . . . . 0 N--CA 1.451 -1.029 0 CA-C-O 116.257 -1.643 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.75 -15.53 63.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 125.967 2.042 . . . . 0.0 113.182 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.28 -23.31 51.15 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 117.974 2.583 . . . . 0.0 117.974 163.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 112.815 0.275 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 . . . . . 0 N--CA 1.457 -0.12 0 O-C-N 120.878 -1.139 . . . . 0.0 111.081 167.543 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo . . . . . 0 N--CA 1.45 -1.041 0 N-CA-C 114.619 0.969 . . . . 0.0 114.619 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -57.84 -21.25 41.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.843 1.657 . . . . 0.0 112.524 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.27 -13.4 60.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 119.774 3.25 . . . . 0.0 119.774 171.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.446 -0.656 0 O-C-N 116.747 -3.72 . . . . 0.0 114.367 177.768 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 N--CA 1.446 -1.32 0 CA-C-O 117.561 -1.1 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-N 121.497 1.953 . . . . 0.0 111.079 -173.48 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo . . . . . 0 N--CA 1.447 -1.264 0 N-CA-C 117.936 2.245 . . . . 0.0 117.936 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.69 -24.82 58.83 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 116.89 -3.631 . . . . 0.0 112.922 -169.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.93 -22.43 59.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.38 1.072 . . . . 0.0 113.325 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.299 67.0 mt . . . . . 0 N--CA 1.449 -0.521 0 C-N-CA 130.461 3.504 . . . . 0.0 115.861 -171.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 N--CA 1.45 -1.038 0 CA-C-O 123.366 1.319 . . . . 0.0 113.308 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--O 1.224 -0.25 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.247 -170.229 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.442 -1.504 0 N-CA-C 110.171 -0.742 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -58.01 -26.48 62.46 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.096 -2.253 . . . . 0.0 116.755 169.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.64 -19.61 58.59 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -173.424 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo . . . . . 0 N--CA 1.443 -1.458 0 CA-C-O 115.555 -1.936 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.3 t80 . . . . . 0 N--CA 1.445 -0.703 0 C-N-CA 130.552 3.541 . . . . 0.0 112.053 173.352 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 N--CA 1.451 -1.021 0 CA-C-O 124.206 1.669 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 39.4 mmtt -48.27 -38.46 18.79 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.082 2.153 . . . . 0.0 113.399 -163.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.99 -25.96 68.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 125.128 1.518 . . . . 0.0 114.072 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 N--CA 1.451 -0.407 0 C-N-CA 130.455 3.502 . . . . 0.0 114.18 -174.677 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo . . . . . 0 N--CA 1.46 -0.482 0 CA-C-O 116.844 -1.398 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 t80 . . . . . 0 N--CA 1.444 -0.732 0 CA-C-N 120.42 1.464 . . . . 0.0 111.216 -167.825 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo . . . . . 0 N--CA 1.451 -1.021 0 N-CA-C 110.273 -0.703 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -56.62 -27.67 58.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -168.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.59 -2.47 57.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.621 1.968 . . . . 0.0 112.125 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.537 0 C-N-CA 126.562 1.945 . . . . 0.0 111.815 173.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.448 -1.162 0 CA-C-O 122.255 0.856 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.259 40.1 t80 . . . . . 0 N--CA 1.449 -0.51 0 O-C-N 119.315 -2.116 . . . . 0.0 113.154 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.447 -1.25 0 N-CA-C 113.071 0.373 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -58.07 -40.08 80.15 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.81 -0.9 12.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 115.361 -2.257 . . . . 0.0 115.411 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 125.149 2.404 . . . . 0.0 106.192 -167.881 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo . . . . . 0 N--CA 1.446 -1.313 0 N-CA-C 116.529 1.704 . . . . 0.0 116.529 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 CA--C 1.512 -0.487 0 CA-C-N 123.497 2.862 . . . . 0.0 113.491 -170.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 N--CA 1.453 -0.91 0 CA-C-O 123.389 1.329 . . . . 0.0 112.832 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -57.05 -32.35 66.13 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 123.322 1.535 . . . . 0.0 115.05 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -68.15 -13.04 61.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.452 -0.333 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.867 175.72 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 N--CA 1.445 -1.348 0 CA-C-O 121.66 0.608 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 115.823 -2.037 . . . . 0.0 114.917 171.125 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo . . . . . 0 N--CA 1.445 -1.357 0 N-CA-C 116.294 1.613 . . . . 0.0 116.294 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -63.26 -31.29 72.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 125.898 1.998 . . . . 0.0 109.663 -167.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -98.12 21.98 10.08 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 124.57 1.169 . . . . 0.0 109.922 -174.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 tp . . . . . 0 CA--C 1.515 -0.401 0 C-N-CA 124.931 1.293 . . . . 0.0 112.02 -178.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 N--CA 1.449 -1.141 0 N-CA-C 117.061 1.908 . . . . 0.0 117.061 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 CA--C 1.515 -0.387 1 O-C-N 115.275 -4.64 . . . . 0.0 111.674 171.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.445 -1.356 0 N-CA-C 116.235 1.59 . . . . 0.0 116.235 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -52.87 -25.47 11.75 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 130.766 3.626 . . . . 0.0 119.178 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -90.3 -26.74 19.85 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 122.535 2.425 . . . . 0.0 115.893 163.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 115.96 -1.971 . . . . 0.0 111.167 -175.226 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 113.941 0.708 . . . . 0.0 113.941 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 116.956 -1.497 . . . . 0.0 111.293 -172.648 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 N--CA 1.457 -0.643 0 N-CA-C 114.92 1.085 . . . . 0.0 114.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.12 -32.64 65.06 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 119.629 -1.92 . . . . 0.0 108.49 -174.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.9 -19.72 65.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 120.268 1.394 . . . . 0.0 111.35 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 N--CA 1.446 -0.654 0 O-C-N 116.871 -3.643 . . . . 0.0 113.637 175.533 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.446 -1.277 0 CA-C-O 125.178 2.074 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 102.822 -3.029 . . . . 0.0 102.822 -176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo . . . . . 0 N--CA 1.452 -0.952 0 N-CA-C 111.178 -0.355 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -81.49 -31.01 33.09 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.31 42.4 m-20 -57.69 -28.17 63.57 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.371 1.868 . . . . 0.0 110.805 169.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-N 119.864 1.211 . . . . 0.0 111.893 -173.642 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.457 -0.663 0 CA-C-O 117.119 -1.284 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 p90 . . . . . 0 N--CA 1.443 -0.8 0 C-N-CA 129.885 3.274 . . . . 0.0 110.279 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo . . . . . 0 N--CA 1.455 -0.741 0 N-CA-C 114.751 1.02 . . . . 0.0 114.751 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -58.6 -40.05 82.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 118.294 -2.754 . . . . 0.0 114.436 156.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -42.42 -47.62 5.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.244 2.618 . . . . 0.0 112.982 169.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.451 -0.421 1 O-C-N 116.23 -4.044 . . . . 0.0 109.63 -161.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.448 -1.157 0 CA-C-O 117.204 -1.248 . . . . 0.0 114.019 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 p90 . . . . . 0 N--CA 1.441 -0.886 0 C-N-CA 128.927 2.891 . . . . 0.0 111.292 -175.746 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.344 7.6 Cg_exo . . . . . 0 N--CA 1.443 -1.487 0 N-CA-C 117.19 1.958 . . . . 0.0 117.19 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -73.08 -30.72 63.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.605 -1.309 . . . . 0.0 110.441 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.69 -26.99 65.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt . . . . . 0 N--CA 1.448 -0.567 0 C-N-CA 128.314 2.646 . . . . 0.0 114.9 -157.26 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo . . . . . 0 N--CA 1.449 -1.1 0 CA-C-O 116.875 -1.385 . . . . 0.0 115.367 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 -179.527 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo . . . . . 0 N--CA 1.449 -1.137 0 CA-C-O 125.986 2.411 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -74.93 -44.19 49.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 117.671 -3.143 . . . . 0.0 115.638 -167.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.8 -31.81 72.06 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 116.359 -2.136 . . . . 0.0 113.941 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 -172.661 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.449 -1.099 0 CA-C-O 115.678 -1.884 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 p90 . . . . . 0 N--CA 1.44 -0.931 0 C-N-CA 125.638 1.575 . . . . 0.0 111.564 175.879 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo . . . . . 0 N--CA 1.447 -1.259 0 N-CA-C 115.379 1.261 . . . . 0.0 115.379 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -68.05 -24.17 65.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 115.546 -2.168 . . . . 0.0 114.327 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -69.2 -30.33 68.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 120.432 1.469 . . . . 0.0 113.728 163.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.29 21.0 mt . . . . . 0 N--CA 1.446 -0.635 0 CA-C-N 120.642 1.564 . . . . 0.0 112.124 166.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 116.754 1.79 . . . . 0.0 116.754 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo . . . . . 0 N--CA 1.441 -1.572 0 N-CA-C 117.998 2.269 . . . . 0.0 117.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.12 -35.0 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 127.278 2.231 . . . . 0.0 108.686 161.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.33 -29.41 28.3 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.841 -1.552 . . . . 0.0 113.061 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.6 mt . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -156.446 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 CA-C-O 115.348 -2.022 . . . . 0.0 116.549 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 p90 . . . . . 0 N--CA 1.443 -0.787 0 O-C-N 126.95 2.656 . . . . 0.0 109.454 175.607 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo . . . . . 0 N--CA 1.449 -1.121 0 CA-C-O 124.325 1.719 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -159.68 -76.67 0.07 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 168.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -69.89 -29.97 67.29 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 125.517 3.78 . . . . 0.0 114.544 -159.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -167.05 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -77.97 -26.24 6.79 Favored 'Trans proline' 0 N--CA 1.45 -1.081 1 C-N-CA 125.992 4.462 . . . . 0.0 114.714 -175.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -158.7 133.16 8.01 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 125.401 2.524 . . . . 0.0 108.542 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 165.06 32.34 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.749 1.632 . . . . 0.0 113.818 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -54.65 -42.89 71.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.059 2.099 . . . . 0.0 112.18 -158.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -88.11 -12.51 43.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 129.658 3.183 . . . . 0.0 110.856 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 tp -79.29 -57.45 3.71 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 121.605 2.002 . . . . 0.0 113.81 166.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.377 . . . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -61.5 -33.16 88.34 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 N-CA-C 115.422 1.278 . . . . 0.0 115.422 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -157.83 146.7 19.41 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 130.316 3.446 . . . . 0.0 103.939 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -69.95 160.44 49.65 Favored 'Trans proline' 0 N--CA 1.447 -1.224 1 C-N-CA 130.216 7.277 . . . . 0.0 113.409 -175.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -56.78 -48.0 78.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 130.273 3.429 . . . . 0.0 110.94 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.28 32.2 m-20 -71.94 -13.05 61.53 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 175.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -103.73 -56.44 2.21 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 118.888 -2.382 . . . . 0.0 113.1 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.343 . . . . . . . 0 N--CA 1.447 -0.613 0 O-C-N 119.973 -1.705 . . . . 0.0 113.133 -165.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -76.95 -15.37 16.61 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 114.823 -2.984 . . . . 0.0 117.041 -160.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CZ ' ' HD2' ' A' ' 4' ' ' DHI . 57.7 t80 -168.17 156.97 9.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 116.496 -1.716 . . . . 0.0 112.17 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . 0.436 ' HD2' ' CZ ' ' A' ' 3' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.87 144.43 70.76 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.487 2.792 . . . . 0.0 112.99 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.75 -15.53 63.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 125.967 2.042 . . . . 0.0 113.182 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.28 -23.31 51.15 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 117.974 2.583 . . . . 0.0 117.974 163.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.65 -56.98 2.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.363 . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-N 114.446 -1.252 . . . . 0.0 112.308 -164.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -79.92 -34.46 0.92 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 CA-C-N 124.343 2.587 . . . . 0.0 112.815 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -147.13 146.73 30.01 Favored 'General case' 0 N--CA 1.457 -0.12 0 O-C-N 120.878 -1.139 . . . . 0.0 111.081 167.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -57.65 155.83 29.98 Favored 'Trans proline' 0 N--CA 1.45 -1.041 1 C-N-CA 127.291 5.327 . . . . 0.0 114.619 171.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -57.84 -21.25 41.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.843 1.657 . . . . 0.0 112.524 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.27 -13.4 60.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 119.774 3.25 . . . . 0.0 119.774 171.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt -123.28 -38.55 2.56 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 116.747 -3.72 . . . . 0.0 114.367 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.445 . . . . . . . 0 N--CA 1.45 -0.446 0 CA-C-N 119.002 0.819 . . . . 0.0 112.12 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -76.46 -39.53 0.75 Allowed 'Trans proline' 0 N--CA 1.446 -1.32 1 C-N-CA 127.196 5.264 . . . . 0.0 112.505 168.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -158.97 151.96 22.22 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 121.497 1.953 . . . . 0.0 111.079 -173.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -79.81 160.7 24.51 Favored 'Trans proline' 0 N--CA 1.447 -1.264 1 C-N-CA 127.028 5.152 . . . . 0.0 117.936 162.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.69 -24.82 58.83 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 116.89 -3.631 . . . . 0.0 112.922 -169.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.93 -22.43 59.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.38 1.072 . . . . 0.0 113.325 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.299 67.0 mt -109.29 -75.08 0.64 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 130.461 3.504 . . . . 0.0 115.861 -171.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.436 . . . . . . . 0 N--CA 1.453 -0.283 0 O-C-N 118.586 -2.571 . . . . 0.0 117.093 -174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -76.4 -27.93 7.4 Favored 'Trans proline' 0 N--CA 1.45 -1.038 0 CA-C-O 123.366 1.319 . . . . 0.0 113.308 -166.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -163.69 137.32 5.62 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.247 -170.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -77.68 165.45 26.87 Favored 'Trans proline' 0 N--CA 1.442 -1.504 0 C-N-CA 122.392 2.061 . . . . 0.0 110.171 -166.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -58.01 -26.48 62.46 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.096 -2.253 . . . . 0.0 116.755 169.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.64 -19.61 58.59 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.0 mt -117.68 -58.63 2.01 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -173.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.477 . . . . . . . 0 CA--C 1.531 0.24 0 C-N-CA 125.332 1.453 . . . . 0.0 110.271 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -58.49 -36.36 97.53 Favored 'Trans proline' 0 N--CA 1.443 -1.458 0 C-N-CA 124.787 3.658 . . . . 0.0 114.106 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -156.88 152.47 26.83 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 130.552 3.541 . . . . 0.0 112.053 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.96 145.26 49.79 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 CA-C-O 124.206 1.669 . . . . 0.0 110.534 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 39.4 mmtt -48.27 -38.46 18.79 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.082 2.153 . . . . 0.0 113.399 -163.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.99 -25.96 68.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 125.128 1.518 . . . . 0.0 114.072 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -99.55 -52.03 3.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 130.455 3.502 . . . . 0.0 114.18 -174.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.458 . . . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 116.302 -1.809 . . . . 0.0 109.936 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -65.01 -43.59 11.42 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 CA-C-O 116.844 -1.398 . . . . 0.0 109.346 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -167.84 127.78 1.34 Allowed 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 120.42 1.464 . . . . 0.0 111.216 -167.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -70.0 158.26 57.21 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 CA-C-N 120.582 1.244 . . . . 0.0 110.273 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -56.62 -27.67 58.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -168.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.59 -2.47 57.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.621 1.968 . . . . 0.0 112.125 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.93 -54.79 2.45 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.562 1.945 . . . . 0.0 111.815 173.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.457 . . . . . . . 0 N--CA 1.439 -1.015 0 O-C-N 120.416 -1.427 . . . . 0.0 110.672 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -72.66 -32.46 9.49 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 124.737 3.625 . . . . 0.0 112.611 -173.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.259 40.1 t80 -167.26 154.64 8.86 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 119.315 -2.116 . . . . 0.0 113.154 -176.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.62 161.57 44.89 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.482 2.788 . . . . 0.0 113.071 -168.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -58.07 -40.08 80.15 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.81 -0.9 12.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 115.361 -2.257 . . . . 0.0 115.411 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -118.61 -50.24 2.43 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 125.149 2.404 . . . . 0.0 106.192 -167.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.369 . . . . . . . 0 N--CA 1.451 -0.401 0 O-C-N 116.752 -3.717 . . . . 0.0 120.136 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -57.16 -38.1 96.32 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 122.259 1.972 . . . . 0.0 116.529 164.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -168.21 131.47 1.55 Allowed 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 123.497 2.862 . . . . 0.0 113.491 -170.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . 0.424 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.424 ' HD3' ' HB2' ' A' ' 4' ' ' DHI . 22.5 Cg_exo -63.57 156.02 59.39 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 CA-C-O 123.389 1.329 . . . . 0.0 112.832 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -57.05 -32.35 66.13 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 123.322 1.535 . . . . 0.0 115.05 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -68.15 -13.04 61.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.35 -64.82 1.0 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.867 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.402 . . . . . . . 0 N--CA 1.445 -0.687 0 CA-C-O 116.641 -1.647 . . . . 0.0 109.703 -169.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -77.76 -37.58 0.86 Allowed 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 122.321 2.014 . . . . 0.0 110.812 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -150.21 137.53 19.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 115.823 -2.037 . . . . 0.0 114.917 171.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . 0.423 ' CD2' ' C ' ' A' ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -66.94 174.16 7.21 Favored 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 124.934 3.756 . . . . 0.0 116.294 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -63.26 -31.29 72.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 125.898 1.998 . . . . 0.0 109.663 -167.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -98.12 21.98 10.08 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 124.57 1.169 . . . . 0.0 109.922 -174.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 tp -134.41 -55.17 0.85 Allowed 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 124.931 1.293 . . . . 0.0 112.02 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.431 . . . . . . . 0 N--CA 1.445 -0.677 0 C-N-CA 124.449 1.1 . . . . 0.0 112.298 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -69.85 -28.68 24.54 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 123.99 3.127 . . . . 0.0 117.061 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -167.6 137.82 2.82 Favored 'General case' 0 CA--C 1.515 -0.387 1 O-C-N 115.275 -4.64 . . . . 0.0 111.674 171.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.82 176.09 8.06 Favored 'Trans proline' 0 N--CA 1.445 -1.356 0 N-CA-C 116.235 1.59 . . . . 0.0 116.235 -174.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -52.87 -25.47 11.75 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 130.766 3.626 . . . . 0.0 119.178 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -90.3 -26.74 19.85 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 122.535 2.425 . . . . 0.0 115.893 163.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -84.12 -34.26 24.14 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 115.96 -1.971 . . . . 0.0 111.167 -175.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.552 . . . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 126.008 2.813 . . . . 0.0 113.278 170.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.66 -38.07 3.51 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 CA-C-N 122.274 1.848 . . . . 0.0 113.941 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -154.11 136.49 14.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 116.956 -1.497 . . . . 0.0 111.293 -172.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -63.31 174.21 3.57 Favored 'Trans proline' 0 N--CA 1.457 -0.643 1 CA-C-N 128.373 4.026 . . . . 0.0 114.92 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.12 -32.64 65.06 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 119.629 -1.92 . . . . 0.0 108.49 -174.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.9 -19.72 65.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 120.268 1.394 . . . . 0.0 111.35 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.9 tp -87.49 -60.38 1.99 Allowed 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 116.871 -3.643 . . . . 0.0 113.637 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.389 . . . . . . . 0 N--CA 1.448 -0.551 0 CA-C-O 124.627 2.156 . . . . 0.0 116.522 -169.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.49 -55.83 1.05 Allowed 'Trans proline' 0 N--CA 1.446 -1.277 0 C-N-CA 124.08 3.187 . . . . 0.0 113.026 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.8 157.7 21.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 102.822 -3.029 . . . . 0.0 102.822 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -59.9 160.49 21.62 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 O-C-N 125.46 2.295 . . . . 0.0 111.178 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -81.49 -31.01 33.09 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.31 42.4 m-20 -57.69 -28.17 63.57 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.371 1.868 . . . . 0.0 110.805 169.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 mt -102.72 -62.39 1.28 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 119.864 1.211 . . . . 0.0 111.893 -173.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.495 . . . . . . . 0 N--CA 1.444 -0.745 0 CA-C-N 119.145 0.884 . . . . 0.0 109.417 -161.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.25 -38.38 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.663 0 CA-C-N 122.405 1.895 . . . . 0.0 110.188 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -165.88 156.45 13.08 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 129.885 3.274 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -40.84 153.52 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.824 2.349 . . . . 0.0 114.751 169.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -58.6 -40.05 82.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 118.294 -2.754 . . . . 0.0 114.436 156.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -42.42 -47.62 5.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.244 2.618 . . . . 0.0 112.982 169.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -104.38 -37.49 7.2 Favored 'General case' 0 N--CA 1.451 -0.421 1 O-C-N 116.23 -4.044 . . . . 0.0 109.63 -161.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.399 . . . . . . . 0 N--CA 1.446 -0.673 0 C-N-CA 128.871 2.868 . . . . 0.0 107.176 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.21 -20.78 71.13 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.085 3.19 . . . . 0.0 114.019 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -168.98 148.57 4.14 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 128.927 2.891 . . . . 0.0 111.292 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.344 7.6 Cg_exo -51.37 163.41 1.05 Allowed 'Trans proline' 0 N--CA 1.443 -1.487 0 N-CA-C 117.19 1.958 . . . . 0.0 117.19 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -73.08 -30.72 63.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.605 -1.309 . . . . 0.0 110.441 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.69 -26.99 65.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt -105.43 -39.5 6.12 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 128.314 2.646 . . . . 0.0 114.9 -157.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.388 . . . . . . . 0 N--CA 1.453 -0.288 0 C-N-CA 130.39 3.476 . . . . 0.0 113.005 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -62.28 -42.42 28.62 Favored 'Trans proline' 0 N--CA 1.449 -1.1 0 CA-C-O 116.875 -1.385 . . . . 0.0 115.367 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -172.01 140.35 1.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -55.93 166.33 3.11 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 CA-C-O 125.986 2.411 . . . . 0.0 113.428 165.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -74.93 -44.19 49.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 117.671 -3.143 . . . . 0.0 115.638 -167.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.8 -31.81 72.06 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 116.359 -2.136 . . . . 0.0 113.941 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt -80.02 -38.78 31.31 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 -172.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.427 . . . . . . . 0 N--CA 1.45 -0.445 0 O-C-N 119.314 -2.116 . . . . 0.0 115.223 163.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.05 -39.89 56.27 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 CA-C-O 115.678 -1.884 . . . . 0.0 112.988 175.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -162.55 162.7 27.41 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.638 1.575 . . . . 0.0 111.564 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -56.06 153.41 32.49 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 CA-C-N 125.011 2.825 . . . . 0.0 115.379 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -68.05 -24.17 65.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 115.546 -2.168 . . . . 0.0 114.327 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -69.2 -30.33 68.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 120.432 1.469 . . . . 0.0 113.728 163.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.29 21.0 mt -79.8 -123.34 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 120.642 1.564 . . . . 0.0 112.124 166.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.425 . . . . . . . 0 C--O 1.219 -0.541 0 C-N-CA 128.748 2.819 . . . . 0.0 105.935 -172.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.21 -25.44 22.17 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.152 2.568 . . . . 0.0 116.754 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.71 169.23 24.85 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -81.64 -52.34 0.04 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.572 0 N-CA-C 117.998 2.269 . . . . 0.0 117.998 -172.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.12 -35.0 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 127.278 2.231 . . . . 0.0 108.686 161.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.33 -29.41 28.3 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.841 -1.552 . . . . 0.0 113.061 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.37 -14.96 31.96 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -156.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.452 . . . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 122.581 1.181 . . . . 0.0 112.123 154.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -74.68 -26.2 11.83 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 CA-C-O 115.348 -2.022 . . . . 0.0 116.549 -174.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -153.64 150.62 28.8 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 126.95 2.656 . . . . 0.0 109.454 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -78.79 -61.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.121 0 CA-C-O 124.325 1.719 . . . . 0.0 112.884 -160.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -159.68 -76.67 0.07 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 168.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -69.89 -29.97 67.29 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 125.517 3.78 . . . . 0.0 114.544 -159.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.53 -10.65 59.77 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -167.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.419 . . . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 -163.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo . . . . . 0 N--CA 1.45 -1.081 0 N-CA-C 114.714 1.005 . . . . 0.0 114.714 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 125.401 2.524 . . . . 0.0 108.542 175.409 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.449 -1.101 0 CA-C-O 116.894 -1.377 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -54.65 -42.89 71.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.059 2.099 . . . . 0.0 112.18 -158.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -88.11 -12.51 43.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 129.658 3.183 . . . . 0.0 110.856 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 tp . . . . . 0 CA--C 1.518 -0.266 0 CA-C-N 121.605 2.002 . . . . 0.0 113.81 166.693 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo . . . . . 0 N--CA 1.451 -1.014 0 N-CA-C 115.422 1.278 . . . . 0.0 115.422 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.446 -0.625 0 C-N-CA 130.316 3.446 . . . . 0.0 103.939 -178.13 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 0 N--CA 1.447 -1.224 0 N-CA-C 113.409 0.503 . . . . 0.0 113.409 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -56.78 -48.0 78.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 130.273 3.429 . . . . 0.0 110.94 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.28 32.2 m-20 -71.94 -13.05 61.53 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 175.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 N--CA 1.45 -0.442 0 O-C-N 118.888 -2.382 . . . . 0.0 113.1 177.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 117.041 1.9 . . . . 0.0 117.041 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 116.496 -1.716 . . . . 0.0 112.17 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo . . . . . 0 N--CA 1.451 -1.029 0 CA-C-O 116.257 -1.643 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.75 -15.53 63.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 125.967 2.042 . . . . 0.0 113.182 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.28 -23.31 51.15 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 117.974 2.583 . . . . 0.0 117.974 163.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 112.815 0.275 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 . . . . . 0 N--CA 1.457 -0.12 0 O-C-N 120.878 -1.139 . . . . 0.0 111.081 167.543 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo . . . . . 0 N--CA 1.45 -1.041 0 N-CA-C 114.619 0.969 . . . . 0.0 114.619 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -57.84 -21.25 41.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.843 1.657 . . . . 0.0 112.524 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.27 -13.4 60.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 119.774 3.25 . . . . 0.0 119.774 171.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.446 -0.656 0 O-C-N 116.747 -3.72 . . . . 0.0 114.367 177.768 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 N--CA 1.446 -1.32 0 CA-C-O 117.561 -1.1 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-N 121.497 1.953 . . . . 0.0 111.079 -173.48 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo . . . . . 0 N--CA 1.447 -1.264 0 N-CA-C 117.936 2.245 . . . . 0.0 117.936 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.69 -24.82 58.83 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 116.89 -3.631 . . . . 0.0 112.922 -169.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.93 -22.43 59.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.38 1.072 . . . . 0.0 113.325 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.299 67.0 mt . . . . . 0 N--CA 1.449 -0.521 0 C-N-CA 130.461 3.504 . . . . 0.0 115.861 -171.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 N--CA 1.45 -1.038 0 CA-C-O 123.366 1.319 . . . . 0.0 113.308 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--O 1.224 -0.25 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.247 -170.229 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.442 -1.504 0 N-CA-C 110.171 -0.742 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -58.01 -26.48 62.46 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.096 -2.253 . . . . 0.0 116.755 169.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.64 -19.61 58.59 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -173.424 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo . . . . . 0 N--CA 1.443 -1.458 0 CA-C-O 115.555 -1.936 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.3 t80 . . . . . 0 N--CA 1.445 -0.703 0 C-N-CA 130.552 3.541 . . . . 0.0 112.053 173.352 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 N--CA 1.451 -1.021 0 CA-C-O 124.206 1.669 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 39.4 mmtt -48.27 -38.46 18.79 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.082 2.153 . . . . 0.0 113.399 -163.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.99 -25.96 68.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 125.128 1.518 . . . . 0.0 114.072 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 N--CA 1.451 -0.407 0 C-N-CA 130.455 3.502 . . . . 0.0 114.18 -174.677 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo . . . . . 0 N--CA 1.46 -0.482 0 CA-C-O 116.844 -1.398 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 t80 . . . . . 0 N--CA 1.444 -0.732 0 CA-C-N 120.42 1.464 . . . . 0.0 111.216 -167.825 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo . . . . . 0 N--CA 1.451 -1.021 0 N-CA-C 110.273 -0.703 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -56.62 -27.67 58.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -168.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.59 -2.47 57.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.621 1.968 . . . . 0.0 112.125 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.537 0 C-N-CA 126.562 1.945 . . . . 0.0 111.815 173.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.448 -1.162 0 CA-C-O 122.255 0.856 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.259 40.1 t80 . . . . . 0 N--CA 1.449 -0.51 0 O-C-N 119.315 -2.116 . . . . 0.0 113.154 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.447 -1.25 0 N-CA-C 113.071 0.373 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -58.07 -40.08 80.15 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.81 -0.9 12.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 115.361 -2.257 . . . . 0.0 115.411 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 125.149 2.404 . . . . 0.0 106.192 -167.881 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo . . . . . 0 N--CA 1.446 -1.313 0 N-CA-C 116.529 1.704 . . . . 0.0 116.529 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 CA--C 1.512 -0.487 0 CA-C-N 123.497 2.862 . . . . 0.0 113.491 -170.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 N--CA 1.453 -0.91 0 CA-C-O 123.389 1.329 . . . . 0.0 112.832 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -57.05 -32.35 66.13 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 123.322 1.535 . . . . 0.0 115.05 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -68.15 -13.04 61.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.452 -0.333 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.867 175.72 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 N--CA 1.445 -1.348 0 CA-C-O 121.66 0.608 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 115.823 -2.037 . . . . 0.0 114.917 171.125 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo . . . . . 0 N--CA 1.445 -1.357 0 N-CA-C 116.294 1.613 . . . . 0.0 116.294 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -63.26 -31.29 72.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 125.898 1.998 . . . . 0.0 109.663 -167.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -98.12 21.98 10.08 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 124.57 1.169 . . . . 0.0 109.922 -174.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 tp . . . . . 0 CA--C 1.515 -0.401 0 C-N-CA 124.931 1.293 . . . . 0.0 112.02 -178.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 N--CA 1.449 -1.141 0 N-CA-C 117.061 1.908 . . . . 0.0 117.061 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 CA--C 1.515 -0.387 1 O-C-N 115.275 -4.64 . . . . 0.0 111.674 171.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.445 -1.356 0 N-CA-C 116.235 1.59 . . . . 0.0 116.235 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -52.87 -25.47 11.75 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 130.766 3.626 . . . . 0.0 119.178 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -90.3 -26.74 19.85 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 122.535 2.425 . . . . 0.0 115.893 163.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 115.96 -1.971 . . . . 0.0 111.167 -175.226 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 113.941 0.708 . . . . 0.0 113.941 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 116.956 -1.497 . . . . 0.0 111.293 -172.648 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 N--CA 1.457 -0.643 0 N-CA-C 114.92 1.085 . . . . 0.0 114.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.12 -32.64 65.06 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 119.629 -1.92 . . . . 0.0 108.49 -174.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.9 -19.72 65.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 120.268 1.394 . . . . 0.0 111.35 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 N--CA 1.446 -0.654 0 O-C-N 116.871 -3.643 . . . . 0.0 113.637 175.533 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.446 -1.277 0 CA-C-O 125.178 2.074 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 102.822 -3.029 . . . . 0.0 102.822 -176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo . . . . . 0 N--CA 1.452 -0.952 0 N-CA-C 111.178 -0.355 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -81.49 -31.01 33.09 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.31 42.4 m-20 -57.69 -28.17 63.57 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.371 1.868 . . . . 0.0 110.805 169.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-N 119.864 1.211 . . . . 0.0 111.893 -173.642 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.457 -0.663 0 CA-C-O 117.119 -1.284 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 p90 . . . . . 0 N--CA 1.443 -0.8 0 C-N-CA 129.885 3.274 . . . . 0.0 110.279 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo . . . . . 0 N--CA 1.455 -0.741 0 N-CA-C 114.751 1.02 . . . . 0.0 114.751 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -58.6 -40.05 82.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 118.294 -2.754 . . . . 0.0 114.436 156.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -42.42 -47.62 5.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.244 2.618 . . . . 0.0 112.982 169.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.451 -0.421 1 O-C-N 116.23 -4.044 . . . . 0.0 109.63 -161.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.448 -1.157 0 CA-C-O 117.204 -1.248 . . . . 0.0 114.019 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 p90 . . . . . 0 N--CA 1.441 -0.886 0 C-N-CA 128.927 2.891 . . . . 0.0 111.292 -175.746 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.344 7.6 Cg_exo . . . . . 0 N--CA 1.443 -1.487 0 N-CA-C 117.19 1.958 . . . . 0.0 117.19 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -73.08 -30.72 63.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.605 -1.309 . . . . 0.0 110.441 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.69 -26.99 65.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt . . . . . 0 N--CA 1.448 -0.567 0 C-N-CA 128.314 2.646 . . . . 0.0 114.9 -157.26 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo . . . . . 0 N--CA 1.449 -1.1 0 CA-C-O 116.875 -1.385 . . . . 0.0 115.367 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 -179.527 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo . . . . . 0 N--CA 1.449 -1.137 0 CA-C-O 125.986 2.411 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -74.93 -44.19 49.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 117.671 -3.143 . . . . 0.0 115.638 -167.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.8 -31.81 72.06 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 116.359 -2.136 . . . . 0.0 113.941 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 -172.661 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.449 -1.099 0 CA-C-O 115.678 -1.884 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 p90 . . . . . 0 N--CA 1.44 -0.931 0 C-N-CA 125.638 1.575 . . . . 0.0 111.564 175.879 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo . . . . . 0 N--CA 1.447 -1.259 0 N-CA-C 115.379 1.261 . . . . 0.0 115.379 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -68.05 -24.17 65.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 115.546 -2.168 . . . . 0.0 114.327 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -69.2 -30.33 68.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 120.432 1.469 . . . . 0.0 113.728 163.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.29 21.0 mt . . . . . 0 N--CA 1.446 -0.635 0 CA-C-N 120.642 1.564 . . . . 0.0 112.124 166.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 116.754 1.79 . . . . 0.0 116.754 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo . . . . . 0 N--CA 1.441 -1.572 0 N-CA-C 117.998 2.269 . . . . 0.0 117.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.12 -35.0 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 127.278 2.231 . . . . 0.0 108.686 161.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.33 -29.41 28.3 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.841 -1.552 . . . . 0.0 113.061 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.6 mt . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -156.446 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 CA-C-O 115.348 -2.022 . . . . 0.0 116.549 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 p90 . . . . . 0 N--CA 1.443 -0.787 0 O-C-N 126.95 2.656 . . . . 0.0 109.454 175.607 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo . . . . . 0 N--CA 1.449 -1.121 0 CA-C-O 124.325 1.719 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -159.68 -76.67 0.07 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 168.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -69.89 -29.97 67.29 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 125.517 3.78 . . . . 0.0 114.544 -159.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -167.05 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -77.97 -26.24 6.79 Favored 'Trans proline' 0 N--CA 1.45 -1.081 1 C-N-CA 125.992 4.462 . . . . 0.0 114.714 -175.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -158.7 133.16 8.01 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 125.401 2.524 . . . . 0.0 108.542 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DHI . . . . . 0.423 ' HB2' ' CD ' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' CD ' ' HB2' ' A' ' 4' ' ' DHI . 53.0 Cg_endo -69.86 165.06 32.34 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.749 1.632 . . . . 0.0 113.818 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -54.65 -42.89 71.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.059 2.099 . . . . 0.0 112.18 -158.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -88.11 -12.51 43.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 129.658 3.183 . . . . 0.0 110.856 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 tp -79.29 -57.45 3.71 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 121.605 2.002 . . . . 0.0 113.81 166.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.377 . . . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -61.5 -33.16 88.34 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 N-CA-C 115.422 1.278 . . . . 0.0 115.422 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -157.83 146.7 19.41 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 130.316 3.446 . . . . 0.0 103.939 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -69.95 160.44 49.65 Favored 'Trans proline' 0 N--CA 1.447 -1.224 1 C-N-CA 130.216 7.277 . . . . 0.0 113.409 -175.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -56.78 -48.0 78.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 130.273 3.429 . . . . 0.0 110.94 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.28 32.2 m-20 -71.94 -13.05 61.53 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 175.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -103.73 -56.44 2.21 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 118.888 -2.382 . . . . 0.0 113.1 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.343 . . . . . . . 0 N--CA 1.447 -0.613 0 O-C-N 119.973 -1.705 . . . . 0.0 113.133 -165.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -76.95 -15.37 16.61 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 114.823 -2.984 . . . . 0.0 117.041 -160.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -168.17 156.97 9.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 116.496 -1.716 . . . . 0.0 112.17 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.87 144.43 70.76 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.487 2.792 . . . . 0.0 112.99 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.75 -15.53 63.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 125.967 2.042 . . . . 0.0 113.182 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.28 -23.31 51.15 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 117.974 2.583 . . . . 0.0 117.974 163.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.65 -56.98 2.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.363 . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-N 114.446 -1.252 . . . . 0.0 112.308 -164.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -79.92 -34.46 0.92 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 CA-C-N 124.343 2.587 . . . . 0.0 112.815 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -147.13 146.73 30.01 Favored 'General case' 0 N--CA 1.457 -0.12 0 O-C-N 120.878 -1.139 . . . . 0.0 111.081 167.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -57.65 155.83 29.98 Favored 'Trans proline' 0 N--CA 1.45 -1.041 1 C-N-CA 127.291 5.327 . . . . 0.0 114.619 171.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 9' ' ' DGN . 43.6 mtpt -57.84 -21.25 41.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.843 1.657 . . . . 0.0 112.524 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.27 -13.4 60.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 119.774 3.25 . . . . 0.0 119.774 171.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt -123.28 -38.55 2.56 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 116.747 -3.72 . . . . 0.0 114.367 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' DGN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 6' ' ' LYS 2.445 . . . . . . . 0 N--CA 1.45 -0.446 0 CA-C-N 119.002 0.819 . . . . 0.0 112.12 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -76.46 -39.53 0.75 Allowed 'Trans proline' 0 N--CA 1.446 -1.32 1 C-N-CA 127.196 5.264 . . . . 0.0 112.505 168.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -158.97 151.96 22.22 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 121.497 1.953 . . . . 0.0 111.079 -173.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -79.81 160.7 24.51 Favored 'Trans proline' 0 N--CA 1.447 -1.264 1 C-N-CA 127.028 5.152 . . . . 0.0 117.936 162.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.69 -24.82 58.83 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 116.89 -3.631 . . . . 0.0 112.922 -169.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.93 -22.43 59.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.38 1.072 . . . . 0.0 113.325 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.299 67.0 mt -109.29 -75.08 0.64 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 130.461 3.504 . . . . 0.0 115.861 -171.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.436 . . . . . . . 0 N--CA 1.453 -0.283 0 O-C-N 118.586 -2.571 . . . . 0.0 117.093 -174.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -76.4 -27.93 7.4 Favored 'Trans proline' 0 N--CA 1.45 -1.038 0 CA-C-O 123.366 1.319 . . . . 0.0 113.308 -166.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -163.69 137.32 5.62 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.247 -170.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -77.68 165.45 26.87 Favored 'Trans proline' 0 N--CA 1.442 -1.504 0 C-N-CA 122.392 2.061 . . . . 0.0 110.171 -166.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -58.01 -26.48 62.46 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.096 -2.253 . . . . 0.0 116.755 169.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.64 -19.61 58.59 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.0 mt -117.68 -58.63 2.01 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -173.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.477 . . . . . . . 0 CA--C 1.531 0.24 0 C-N-CA 125.332 1.453 . . . . 0.0 110.271 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -58.49 -36.36 97.53 Favored 'Trans proline' 0 N--CA 1.443 -1.458 0 C-N-CA 124.787 3.658 . . . . 0.0 114.106 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -156.88 152.47 26.83 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 130.552 3.541 . . . . 0.0 112.053 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.96 145.26 49.79 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 CA-C-O 124.206 1.669 . . . . 0.0 110.534 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 39.4 mmtt -48.27 -38.46 18.79 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.082 2.153 . . . . 0.0 113.399 -163.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.99 -25.96 68.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 125.128 1.518 . . . . 0.0 114.072 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -99.55 -52.03 3.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 130.455 3.502 . . . . 0.0 114.18 -174.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.458 . . . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 116.302 -1.809 . . . . 0.0 109.936 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -65.01 -43.59 11.42 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 CA-C-O 116.844 -1.398 . . . . 0.0 109.346 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -167.84 127.78 1.34 Allowed 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 120.42 1.464 . . . . 0.0 111.216 -167.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -70.0 158.26 57.21 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 CA-C-N 120.582 1.244 . . . . 0.0 110.273 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -56.62 -27.67 58.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -168.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.59 -2.47 57.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.621 1.968 . . . . 0.0 112.125 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.93 -54.79 2.45 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.562 1.945 . . . . 0.0 111.815 173.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.457 . . . . . . . 0 N--CA 1.439 -1.015 0 O-C-N 120.416 -1.427 . . . . 0.0 110.672 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -72.66 -32.46 9.49 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 124.737 3.625 . . . . 0.0 112.611 -173.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.259 40.1 t80 -167.26 154.64 8.86 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 119.315 -2.116 . . . . 0.0 113.154 -176.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.62 161.57 44.89 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.482 2.788 . . . . 0.0 113.071 -168.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -58.07 -40.08 80.15 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.81 -0.9 12.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 115.361 -2.257 . . . . 0.0 115.411 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -118.61 -50.24 2.43 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 125.149 2.404 . . . . 0.0 106.192 -167.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.369 . . . . . . . 0 N--CA 1.451 -0.401 0 O-C-N 116.752 -3.717 . . . . 0.0 120.136 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -57.16 -38.1 96.32 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 122.259 1.972 . . . . 0.0 116.529 164.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -168.21 131.47 1.55 Allowed 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 123.497 2.862 . . . . 0.0 113.491 -170.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DHI . . . . . 0.435 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' A' ' 4' ' ' DHI . 22.5 Cg_exo -63.57 156.02 59.39 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 CA-C-O 123.389 1.329 . . . . 0.0 112.832 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HA ' ' HG3' ' A' ' 9' ' ' DGN . 73.1 mmtt -57.05 -32.35 66.13 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 123.322 1.535 . . . . 0.0 115.05 -177.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -68.15 -13.04 61.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.35 -64.82 1.0 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.867 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' DGN . . . . . 0.483 ' HG3' ' HA ' ' A' ' 6' ' ' LYS 2.402 . . . . . . . 0 N--CA 1.445 -0.687 0 CA-C-O 116.641 -1.647 . . . . 0.0 109.703 -169.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -77.76 -37.58 0.86 Allowed 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 122.321 2.014 . . . . 0.0 110.812 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -150.21 137.53 19.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 115.823 -2.037 . . . . 0.0 114.917 171.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DHI . . . . . 0.423 ' CD2' ' C ' ' A' ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -66.94 174.16 7.21 Favored 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 124.934 3.756 . . . . 0.0 116.294 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -63.26 -31.29 72.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 125.898 1.998 . . . . 0.0 109.663 -167.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -98.12 21.98 10.08 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 124.57 1.169 . . . . 0.0 109.922 -174.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 tp -134.41 -55.17 0.85 Allowed 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 124.931 1.293 . . . . 0.0 112.02 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.431 . . . . . . . 0 N--CA 1.445 -0.677 0 C-N-CA 124.449 1.1 . . . . 0.0 112.298 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -69.85 -28.68 24.54 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 123.99 3.127 . . . . 0.0 117.061 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -167.6 137.82 2.82 Favored 'General case' 0 CA--C 1.515 -0.387 1 O-C-N 115.275 -4.64 . . . . 0.0 111.674 171.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.82 176.09 8.06 Favored 'Trans proline' 0 N--CA 1.445 -1.356 0 N-CA-C 116.235 1.59 . . . . 0.0 116.235 -174.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -52.87 -25.47 11.75 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 130.766 3.626 . . . . 0.0 119.178 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -90.3 -26.74 19.85 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 122.535 2.425 . . . . 0.0 115.893 163.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -84.12 -34.26 24.14 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 115.96 -1.971 . . . . 0.0 111.167 -175.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.552 . . . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 126.008 2.813 . . . . 0.0 113.278 170.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.66 -38.07 3.51 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 CA-C-N 122.274 1.848 . . . . 0.0 113.941 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -154.11 136.49 14.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 116.956 -1.497 . . . . 0.0 111.293 -172.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -63.31 174.21 3.57 Favored 'Trans proline' 0 N--CA 1.457 -0.643 1 CA-C-N 128.373 4.026 . . . . 0.0 114.92 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.12 -32.64 65.06 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 119.629 -1.92 . . . . 0.0 108.49 -174.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.9 -19.72 65.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 120.268 1.394 . . . . 0.0 111.35 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.9 tp -87.49 -60.38 1.99 Allowed 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 116.871 -3.643 . . . . 0.0 113.637 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.389 . . . . . . . 0 N--CA 1.448 -0.551 0 CA-C-O 124.627 2.156 . . . . 0.0 116.522 -169.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.49 -55.83 1.05 Allowed 'Trans proline' 0 N--CA 1.446 -1.277 0 C-N-CA 124.08 3.187 . . . . 0.0 113.026 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.8 157.7 21.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 102.822 -3.029 . . . . 0.0 102.822 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -59.9 160.49 21.62 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 O-C-N 125.46 2.295 . . . . 0.0 111.178 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -81.49 -31.01 33.09 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.31 42.4 m-20 -57.69 -28.17 63.57 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.371 1.868 . . . . 0.0 110.805 169.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 mt -102.72 -62.39 1.28 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 119.864 1.211 . . . . 0.0 111.893 -173.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.495 . . . . . . . 0 N--CA 1.444 -0.745 0 CA-C-N 119.145 0.884 . . . . 0.0 109.417 -161.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.25 -38.38 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.663 0 CA-C-N 122.405 1.895 . . . . 0.0 110.188 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -165.88 156.45 13.08 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 129.885 3.274 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -40.84 153.52 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.824 2.349 . . . . 0.0 114.751 169.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -58.6 -40.05 82.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 118.294 -2.754 . . . . 0.0 114.436 156.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -42.42 -47.62 5.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.244 2.618 . . . . 0.0 112.982 169.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -104.38 -37.49 7.2 Favored 'General case' 0 N--CA 1.451 -0.421 1 O-C-N 116.23 -4.044 . . . . 0.0 109.63 -161.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.399 . . . . . . . 0 N--CA 1.446 -0.673 0 C-N-CA 128.871 2.868 . . . . 0.0 107.176 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.21 -20.78 71.13 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.085 3.19 . . . . 0.0 114.019 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -168.98 148.57 4.14 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 128.927 2.891 . . . . 0.0 111.292 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.344 7.6 Cg_exo -51.37 163.41 1.05 Allowed 'Trans proline' 0 N--CA 1.443 -1.487 0 N-CA-C 117.19 1.958 . . . . 0.0 117.19 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -73.08 -30.72 63.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.605 -1.309 . . . . 0.0 110.441 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.69 -26.99 65.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt -105.43 -39.5 6.12 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 128.314 2.646 . . . . 0.0 114.9 -157.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.388 . . . . . . . 0 N--CA 1.453 -0.288 0 C-N-CA 130.39 3.476 . . . . 0.0 113.005 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -62.28 -42.42 28.62 Favored 'Trans proline' 0 N--CA 1.449 -1.1 0 CA-C-O 116.875 -1.385 . . . . 0.0 115.367 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -172.01 140.35 1.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -55.93 166.33 3.11 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 CA-C-O 125.986 2.411 . . . . 0.0 113.428 165.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -74.93 -44.19 49.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 117.671 -3.143 . . . . 0.0 115.638 -167.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.8 -31.81 72.06 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 116.359 -2.136 . . . . 0.0 113.941 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt -80.02 -38.78 31.31 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 -172.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.427 . . . . . . . 0 N--CA 1.45 -0.445 0 O-C-N 119.314 -2.116 . . . . 0.0 115.223 163.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.05 -39.89 56.27 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 CA-C-O 115.678 -1.884 . . . . 0.0 112.988 175.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -162.55 162.7 27.41 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.638 1.575 . . . . 0.0 111.564 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -56.06 153.41 32.49 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 CA-C-N 125.011 2.825 . . . . 0.0 115.379 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -68.05 -24.17 65.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 115.546 -2.168 . . . . 0.0 114.327 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -69.2 -30.33 68.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 120.432 1.469 . . . . 0.0 113.728 163.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.29 21.0 mt -79.8 -123.34 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 120.642 1.564 . . . . 0.0 112.124 166.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.425 . . . . . . . 0 C--O 1.219 -0.541 0 C-N-CA 128.748 2.819 . . . . 0.0 105.935 -172.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.21 -25.44 22.17 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.152 2.568 . . . . 0.0 116.754 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.71 169.23 24.85 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -81.64 -52.34 0.04 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.572 0 N-CA-C 117.998 2.269 . . . . 0.0 117.998 -172.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.12 -35.0 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 127.278 2.231 . . . . 0.0 108.686 161.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.33 -29.41 28.3 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.841 -1.552 . . . . 0.0 113.061 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.37 -14.96 31.96 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -156.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.452 . . . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 122.581 1.181 . . . . 0.0 112.123 154.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -74.68 -26.2 11.83 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 CA-C-O 115.348 -2.022 . . . . 0.0 116.549 -174.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -153.64 150.62 28.8 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 126.95 2.656 . . . . 0.0 109.454 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -78.79 -61.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.121 0 CA-C-O 124.325 1.719 . . . . 0.0 112.884 -160.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -159.68 -76.67 0.07 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 168.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -69.89 -29.97 67.29 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 125.517 3.78 . . . . 0.0 114.544 -159.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.53 -10.65 59.77 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -167.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.419 . . . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 -163.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo . . . . . 0 N--CA 1.45 -1.081 0 N-CA-C 114.714 1.005 . . . . 0.0 114.714 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 125.401 2.524 . . . . 0.0 108.542 175.409 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.449 -1.101 0 CA-C-O 116.894 -1.377 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -54.65 -42.89 71.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.059 2.099 . . . . 0.0 112.18 -158.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -88.11 -12.51 43.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 129.658 3.183 . . . . 0.0 110.856 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 tp . . . . . 0 CA--C 1.518 -0.266 0 CA-C-N 121.605 2.002 . . . . 0.0 113.81 166.693 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo . . . . . 0 N--CA 1.451 -1.014 0 N-CA-C 115.422 1.278 . . . . 0.0 115.422 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.446 -0.625 0 C-N-CA 130.316 3.446 . . . . 0.0 103.939 -178.13 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 0 N--CA 1.447 -1.224 0 N-CA-C 113.409 0.503 . . . . 0.0 113.409 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -56.78 -48.0 78.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 130.273 3.429 . . . . 0.0 110.94 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.28 32.2 m-20 -71.94 -13.05 61.53 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 175.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 N--CA 1.45 -0.442 0 O-C-N 118.888 -2.382 . . . . 0.0 113.1 177.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 117.041 1.9 . . . . 0.0 117.041 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 116.496 -1.716 . . . . 0.0 112.17 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo . . . . . 0 N--CA 1.451 -1.029 0 CA-C-O 116.257 -1.643 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.75 -15.53 63.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 125.967 2.042 . . . . 0.0 113.182 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.28 -23.31 51.15 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 117.974 2.583 . . . . 0.0 117.974 163.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 112.815 0.275 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 . . . . . 0 N--CA 1.457 -0.12 0 O-C-N 120.878 -1.139 . . . . 0.0 111.081 167.543 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo . . . . . 0 N--CA 1.45 -1.041 0 N-CA-C 114.619 0.969 . . . . 0.0 114.619 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -57.84 -21.25 41.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.843 1.657 . . . . 0.0 112.524 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.27 -13.4 60.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 119.774 3.25 . . . . 0.0 119.774 171.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.446 -0.656 0 O-C-N 116.747 -3.72 . . . . 0.0 114.367 177.768 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 N--CA 1.446 -1.32 0 CA-C-O 117.561 -1.1 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-N 121.497 1.953 . . . . 0.0 111.079 -173.48 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo . . . . . 0 N--CA 1.447 -1.264 0 N-CA-C 117.936 2.245 . . . . 0.0 117.936 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.69 -24.82 58.83 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 116.89 -3.631 . . . . 0.0 112.922 -169.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.93 -22.43 59.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.38 1.072 . . . . 0.0 113.325 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.299 67.0 mt . . . . . 0 N--CA 1.449 -0.521 0 C-N-CA 130.461 3.504 . . . . 0.0 115.861 -171.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 N--CA 1.45 -1.038 0 CA-C-O 123.366 1.319 . . . . 0.0 113.308 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--O 1.224 -0.25 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.247 -170.229 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.442 -1.504 0 N-CA-C 110.171 -0.742 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -58.01 -26.48 62.46 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.096 -2.253 . . . . 0.0 116.755 169.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.64 -19.61 58.59 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -173.424 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo . . . . . 0 N--CA 1.443 -1.458 0 CA-C-O 115.555 -1.936 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.3 t80 . . . . . 0 N--CA 1.445 -0.703 0 C-N-CA 130.552 3.541 . . . . 0.0 112.053 173.352 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 N--CA 1.451 -1.021 0 CA-C-O 124.206 1.669 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 39.4 mmtt -48.27 -38.46 18.79 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.082 2.153 . . . . 0.0 113.399 -163.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.99 -25.96 68.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 125.128 1.518 . . . . 0.0 114.072 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 N--CA 1.451 -0.407 0 C-N-CA 130.455 3.502 . . . . 0.0 114.18 -174.677 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo . . . . . 0 N--CA 1.46 -0.482 0 CA-C-O 116.844 -1.398 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 t80 . . . . . 0 N--CA 1.444 -0.732 0 CA-C-N 120.42 1.464 . . . . 0.0 111.216 -167.825 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo . . . . . 0 N--CA 1.451 -1.021 0 N-CA-C 110.273 -0.703 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -56.62 -27.67 58.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -168.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.59 -2.47 57.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.621 1.968 . . . . 0.0 112.125 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.537 0 C-N-CA 126.562 1.945 . . . . 0.0 111.815 173.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.448 -1.162 0 CA-C-O 122.255 0.856 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.259 40.1 t80 . . . . . 0 N--CA 1.449 -0.51 0 O-C-N 119.315 -2.116 . . . . 0.0 113.154 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.447 -1.25 0 N-CA-C 113.071 0.373 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -58.07 -40.08 80.15 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.81 -0.9 12.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 115.361 -2.257 . . . . 0.0 115.411 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 125.149 2.404 . . . . 0.0 106.192 -167.881 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo . . . . . 0 N--CA 1.446 -1.313 0 N-CA-C 116.529 1.704 . . . . 0.0 116.529 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 CA--C 1.512 -0.487 0 CA-C-N 123.497 2.862 . . . . 0.0 113.491 -170.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 N--CA 1.453 -0.91 0 CA-C-O 123.389 1.329 . . . . 0.0 112.832 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -57.05 -32.35 66.13 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 123.322 1.535 . . . . 0.0 115.05 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -68.15 -13.04 61.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.452 -0.333 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.867 175.72 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 N--CA 1.445 -1.348 0 CA-C-O 121.66 0.608 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 115.823 -2.037 . . . . 0.0 114.917 171.125 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo . . . . . 0 N--CA 1.445 -1.357 0 N-CA-C 116.294 1.613 . . . . 0.0 116.294 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -63.26 -31.29 72.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 125.898 1.998 . . . . 0.0 109.663 -167.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -98.12 21.98 10.08 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 124.57 1.169 . . . . 0.0 109.922 -174.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 tp . . . . . 0 CA--C 1.515 -0.401 0 C-N-CA 124.931 1.293 . . . . 0.0 112.02 -178.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 N--CA 1.449 -1.141 0 N-CA-C 117.061 1.908 . . . . 0.0 117.061 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 CA--C 1.515 -0.387 1 O-C-N 115.275 -4.64 . . . . 0.0 111.674 171.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.445 -1.356 0 N-CA-C 116.235 1.59 . . . . 0.0 116.235 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -52.87 -25.47 11.75 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 130.766 3.626 . . . . 0.0 119.178 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -90.3 -26.74 19.85 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 122.535 2.425 . . . . 0.0 115.893 163.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 115.96 -1.971 . . . . 0.0 111.167 -175.226 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 113.941 0.708 . . . . 0.0 113.941 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 116.956 -1.497 . . . . 0.0 111.293 -172.648 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 N--CA 1.457 -0.643 0 N-CA-C 114.92 1.085 . . . . 0.0 114.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.12 -32.64 65.06 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 119.629 -1.92 . . . . 0.0 108.49 -174.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.9 -19.72 65.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 120.268 1.394 . . . . 0.0 111.35 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 N--CA 1.446 -0.654 0 O-C-N 116.871 -3.643 . . . . 0.0 113.637 175.533 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.446 -1.277 0 CA-C-O 125.178 2.074 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 102.822 -3.029 . . . . 0.0 102.822 -176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo . . . . . 0 N--CA 1.452 -0.952 0 N-CA-C 111.178 -0.355 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -81.49 -31.01 33.09 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.31 42.4 m-20 -57.69 -28.17 63.57 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.371 1.868 . . . . 0.0 110.805 169.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-N 119.864 1.211 . . . . 0.0 111.893 -173.642 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.457 -0.663 0 CA-C-O 117.119 -1.284 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 p90 . . . . . 0 N--CA 1.443 -0.8 0 C-N-CA 129.885 3.274 . . . . 0.0 110.279 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo . . . . . 0 N--CA 1.455 -0.741 0 N-CA-C 114.751 1.02 . . . . 0.0 114.751 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -58.6 -40.05 82.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 118.294 -2.754 . . . . 0.0 114.436 156.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -42.42 -47.62 5.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.244 2.618 . . . . 0.0 112.982 169.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.451 -0.421 1 O-C-N 116.23 -4.044 . . . . 0.0 109.63 -161.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.448 -1.157 0 CA-C-O 117.204 -1.248 . . . . 0.0 114.019 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 p90 . . . . . 0 N--CA 1.441 -0.886 0 C-N-CA 128.927 2.891 . . . . 0.0 111.292 -175.746 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.344 7.6 Cg_exo . . . . . 0 N--CA 1.443 -1.487 0 N-CA-C 117.19 1.958 . . . . 0.0 117.19 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -73.08 -30.72 63.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.605 -1.309 . . . . 0.0 110.441 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.69 -26.99 65.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt . . . . . 0 N--CA 1.448 -0.567 0 C-N-CA 128.314 2.646 . . . . 0.0 114.9 -157.26 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo . . . . . 0 N--CA 1.449 -1.1 0 CA-C-O 116.875 -1.385 . . . . 0.0 115.367 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 -179.527 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo . . . . . 0 N--CA 1.449 -1.137 0 CA-C-O 125.986 2.411 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -74.93 -44.19 49.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 117.671 -3.143 . . . . 0.0 115.638 -167.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.8 -31.81 72.06 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 116.359 -2.136 . . . . 0.0 113.941 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 -172.661 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.449 -1.099 0 CA-C-O 115.678 -1.884 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 p90 . . . . . 0 N--CA 1.44 -0.931 0 C-N-CA 125.638 1.575 . . . . 0.0 111.564 175.879 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo . . . . . 0 N--CA 1.447 -1.259 0 N-CA-C 115.379 1.261 . . . . 0.0 115.379 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -68.05 -24.17 65.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 115.546 -2.168 . . . . 0.0 114.327 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -69.2 -30.33 68.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 120.432 1.469 . . . . 0.0 113.728 163.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.29 21.0 mt . . . . . 0 N--CA 1.446 -0.635 0 CA-C-N 120.642 1.564 . . . . 0.0 112.124 166.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 116.754 1.79 . . . . 0.0 116.754 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo . . . . . 0 N--CA 1.441 -1.572 0 N-CA-C 117.998 2.269 . . . . 0.0 117.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.12 -35.0 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 127.278 2.231 . . . . 0.0 108.686 161.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.33 -29.41 28.3 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.841 -1.552 . . . . 0.0 113.061 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.6 mt . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -156.446 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 CA-C-O 115.348 -2.022 . . . . 0.0 116.549 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 p90 . . . . . 0 N--CA 1.443 -0.787 0 O-C-N 126.95 2.656 . . . . 0.0 109.454 175.607 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo . . . . . 0 N--CA 1.449 -1.121 0 CA-C-O 124.325 1.719 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -159.68 -76.67 0.07 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 168.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -69.89 -29.97 67.29 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 125.517 3.78 . . . . 0.0 114.544 -159.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -167.05 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -77.97 -26.24 6.79 Favored 'Trans proline' 0 N--CA 1.45 -1.081 1 C-N-CA 125.992 4.462 . . . . 0.0 114.714 -175.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -158.7 133.16 8.01 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 125.401 2.524 . . . . 0.0 108.542 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . 0.423 ' HB2' ' CD ' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' CD ' ' HB2' ' A' ' 4' ' ' DHI . 53.0 Cg_endo -69.86 165.06 32.34 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.749 1.632 . . . . 0.0 113.818 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -54.65 -42.89 71.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.059 2.099 . . . . 0.0 112.18 -158.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -88.11 -12.51 43.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 129.658 3.183 . . . . 0.0 110.856 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 tp -79.29 -57.45 3.71 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 121.605 2.002 . . . . 0.0 113.81 166.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.377 . . . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -61.5 -33.16 88.34 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 N-CA-C 115.422 1.278 . . . . 0.0 115.422 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -157.83 146.7 19.41 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 130.316 3.446 . . . . 0.0 103.939 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -69.95 160.44 49.65 Favored 'Trans proline' 0 N--CA 1.447 -1.224 1 C-N-CA 130.216 7.277 . . . . 0.0 113.409 -175.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -56.78 -48.0 78.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 130.273 3.429 . . . . 0.0 110.94 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.28 32.2 m-20 -71.94 -13.05 61.53 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 175.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -103.73 -56.44 2.21 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 118.888 -2.382 . . . . 0.0 113.1 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.343 . . . . . . . 0 N--CA 1.447 -0.613 0 O-C-N 119.973 -1.705 . . . . 0.0 113.133 -165.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -76.95 -15.37 16.61 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 114.823 -2.984 . . . . 0.0 117.041 -160.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -168.17 156.97 9.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 116.496 -1.716 . . . . 0.0 112.17 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.87 144.43 70.76 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.487 2.792 . . . . 0.0 112.99 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.75 -15.53 63.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 125.967 2.042 . . . . 0.0 113.182 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.28 -23.31 51.15 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 117.974 2.583 . . . . 0.0 117.974 163.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.65 -56.98 2.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.363 . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-N 114.446 -1.252 . . . . 0.0 112.308 -164.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -79.92 -34.46 0.92 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 CA-C-N 124.343 2.587 . . . . 0.0 112.815 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -147.13 146.73 30.01 Favored 'General case' 0 N--CA 1.457 -0.12 0 O-C-N 120.878 -1.139 . . . . 0.0 111.081 167.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -57.65 155.83 29.98 Favored 'Trans proline' 0 N--CA 1.45 -1.041 1 C-N-CA 127.291 5.327 . . . . 0.0 114.619 171.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 9' ' ' DGN . 43.6 mtpt -57.84 -21.25 41.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.843 1.657 . . . . 0.0 112.524 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.27 -13.4 60.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 119.774 3.25 . . . . 0.0 119.774 171.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt -123.28 -38.55 2.56 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 116.747 -3.72 . . . . 0.0 114.367 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 6' ' ' LYS 2.445 . . . . . . . 0 N--CA 1.45 -0.446 0 CA-C-N 119.002 0.819 . . . . 0.0 112.12 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -76.46 -39.53 0.75 Allowed 'Trans proline' 0 N--CA 1.446 -1.32 1 C-N-CA 127.196 5.264 . . . . 0.0 112.505 168.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -158.97 151.96 22.22 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 121.497 1.953 . . . . 0.0 111.079 -173.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -79.81 160.7 24.51 Favored 'Trans proline' 0 N--CA 1.447 -1.264 1 C-N-CA 127.028 5.152 . . . . 0.0 117.936 162.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.69 -24.82 58.83 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 116.89 -3.631 . . . . 0.0 112.922 -169.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.93 -22.43 59.84 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.38 1.072 . . . . 0.0 113.325 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.299 67.0 mt -109.29 -75.08 0.64 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 130.461 3.504 . . . . 0.0 115.861 -171.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.436 . . . . . . . 0 N--CA 1.453 -0.283 0 O-C-N 118.586 -2.571 . . . . 0.0 117.093 -174.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -76.4 -27.93 7.4 Favored 'Trans proline' 0 N--CA 1.45 -1.038 0 CA-C-O 123.366 1.319 . . . . 0.0 113.308 -166.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -163.69 137.32 5.62 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.247 -170.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -77.68 165.45 26.87 Favored 'Trans proline' 0 N--CA 1.442 -1.504 0 C-N-CA 122.392 2.061 . . . . 0.0 110.171 -166.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -58.01 -26.48 62.46 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.096 -2.253 . . . . 0.0 116.755 169.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.64 -19.61 58.59 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.0 mt -117.68 -58.63 2.01 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -173.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.477 . . . . . . . 0 CA--C 1.531 0.24 0 C-N-CA 125.332 1.453 . . . . 0.0 110.271 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -58.49 -36.36 97.53 Favored 'Trans proline' 0 N--CA 1.443 -1.458 0 C-N-CA 124.787 3.658 . . . . 0.0 114.106 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -156.88 152.47 26.83 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 130.552 3.541 . . . . 0.0 112.053 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.96 145.26 49.79 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 CA-C-O 124.206 1.669 . . . . 0.0 110.534 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.325 39.4 mmtt -48.27 -38.46 18.79 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.082 2.153 . . . . 0.0 113.399 -163.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.99 -25.96 68.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 125.128 1.518 . . . . 0.0 114.072 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -99.55 -52.03 3.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 130.455 3.502 . . . . 0.0 114.18 -174.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.458 . . . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 116.302 -1.809 . . . . 0.0 109.936 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -65.01 -43.59 11.42 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 CA-C-O 116.844 -1.398 . . . . 0.0 109.346 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -167.84 127.78 1.34 Allowed 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 120.42 1.464 . . . . 0.0 111.216 -167.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -70.0 158.26 57.21 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 CA-C-N 120.582 1.244 . . . . 0.0 110.273 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -56.62 -27.67 58.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -168.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.59 -2.47 57.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.621 1.968 . . . . 0.0 112.125 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.93 -54.79 2.45 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.562 1.945 . . . . 0.0 111.815 173.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.457 . . . . . . . 0 N--CA 1.439 -1.015 0 O-C-N 120.416 -1.427 . . . . 0.0 110.672 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -72.66 -32.46 9.49 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 124.737 3.625 . . . . 0.0 112.611 -173.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.259 40.1 t80 -167.26 154.64 8.86 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 119.315 -2.116 . . . . 0.0 113.154 -176.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.62 161.57 44.89 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.482 2.788 . . . . 0.0 113.071 -168.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -58.07 -40.08 80.15 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.81 -0.9 12.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 115.361 -2.257 . . . . 0.0 115.411 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -118.61 -50.24 2.43 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 125.149 2.404 . . . . 0.0 106.192 -167.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.369 . . . . . . . 0 N--CA 1.451 -0.401 0 O-C-N 116.752 -3.717 . . . . 0.0 120.136 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -57.16 -38.1 96.32 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 122.259 1.972 . . . . 0.0 116.529 164.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -168.21 131.47 1.55 Allowed 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 123.497 2.862 . . . . 0.0 113.491 -170.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . 0.435 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' A' ' 4' ' ' DHI . 22.5 Cg_exo -63.57 156.02 59.39 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 CA-C-O 123.389 1.329 . . . . 0.0 112.832 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HA ' ' HG3' ' A' ' 9' ' ' DGN . 73.1 mmtt -57.05 -32.35 66.13 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 123.322 1.535 . . . . 0.0 115.05 -177.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -68.15 -13.04 61.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.35 -64.82 1.0 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.867 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . 0.483 ' HG3' ' HA ' ' A' ' 6' ' ' LYS 2.402 . . . . . . . 0 N--CA 1.445 -0.687 0 CA-C-O 116.641 -1.647 . . . . 0.0 109.703 -169.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -77.76 -37.58 0.86 Allowed 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 122.321 2.014 . . . . 0.0 110.812 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -150.21 137.53 19.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 115.823 -2.037 . . . . 0.0 114.917 171.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . 0.423 ' CD2' ' C ' ' A' ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -66.94 174.16 7.21 Favored 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 124.934 3.756 . . . . 0.0 116.294 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -63.26 -31.29 72.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 125.898 1.998 . . . . 0.0 109.663 -167.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -98.12 21.98 10.08 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 124.57 1.169 . . . . 0.0 109.922 -174.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 tp -134.41 -55.17 0.85 Allowed 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 124.931 1.293 . . . . 0.0 112.02 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.431 . . . . . . . 0 N--CA 1.445 -0.677 0 C-N-CA 124.449 1.1 . . . . 0.0 112.298 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -69.85 -28.68 24.54 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 123.99 3.127 . . . . 0.0 117.061 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -167.6 137.82 2.82 Favored 'General case' 0 CA--C 1.515 -0.387 1 O-C-N 115.275 -4.64 . . . . 0.0 111.674 171.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.82 176.09 8.06 Favored 'Trans proline' 0 N--CA 1.445 -1.356 0 N-CA-C 116.235 1.59 . . . . 0.0 116.235 -174.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -52.87 -25.47 11.75 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 130.766 3.626 . . . . 0.0 119.178 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -90.3 -26.74 19.85 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 122.535 2.425 . . . . 0.0 115.893 163.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -84.12 -34.26 24.14 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 115.96 -1.971 . . . . 0.0 111.167 -175.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.552 . . . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 126.008 2.813 . . . . 0.0 113.278 170.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.66 -38.07 3.51 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 CA-C-N 122.274 1.848 . . . . 0.0 113.941 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -154.11 136.49 14.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 116.956 -1.497 . . . . 0.0 111.293 -172.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -63.31 174.21 3.57 Favored 'Trans proline' 0 N--CA 1.457 -0.643 1 CA-C-N 128.373 4.026 . . . . 0.0 114.92 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.12 -32.64 65.06 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 119.629 -1.92 . . . . 0.0 108.49 -174.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.9 -19.72 65.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 120.268 1.394 . . . . 0.0 111.35 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.9 tp -87.49 -60.38 1.99 Allowed 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 116.871 -3.643 . . . . 0.0 113.637 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.389 . . . . . . . 0 N--CA 1.448 -0.551 0 CA-C-O 124.627 2.156 . . . . 0.0 116.522 -169.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.49 -55.83 1.05 Allowed 'Trans proline' 0 N--CA 1.446 -1.277 0 C-N-CA 124.08 3.187 . . . . 0.0 113.026 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.8 157.7 21.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 102.822 -3.029 . . . . 0.0 102.822 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -59.9 160.49 21.62 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 O-C-N 125.46 2.295 . . . . 0.0 111.178 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -81.49 -31.01 33.09 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.31 42.4 m-20 -57.69 -28.17 63.57 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.371 1.868 . . . . 0.0 110.805 169.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 mt -102.72 -62.39 1.28 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 119.864 1.211 . . . . 0.0 111.893 -173.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.495 . . . . . . . 0 N--CA 1.444 -0.745 0 CA-C-N 119.145 0.884 . . . . 0.0 109.417 -161.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.25 -38.38 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.663 0 CA-C-N 122.405 1.895 . . . . 0.0 110.188 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -165.88 156.45 13.08 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 129.885 3.274 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -40.84 153.52 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.824 2.349 . . . . 0.0 114.751 169.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -58.6 -40.05 82.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 118.294 -2.754 . . . . 0.0 114.436 156.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -42.42 -47.62 5.02 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.244 2.618 . . . . 0.0 112.982 169.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -104.38 -37.49 7.2 Favored 'General case' 0 N--CA 1.451 -0.421 1 O-C-N 116.23 -4.044 . . . . 0.0 109.63 -161.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.399 . . . . . . . 0 N--CA 1.446 -0.673 0 C-N-CA 128.871 2.868 . . . . 0.0 107.176 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.21 -20.78 71.13 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.085 3.19 . . . . 0.0 114.019 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -168.98 148.57 4.14 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 128.927 2.891 . . . . 0.0 111.292 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.344 7.6 Cg_exo -51.37 163.41 1.05 Allowed 'Trans proline' 0 N--CA 1.443 -1.487 0 N-CA-C 117.19 1.958 . . . . 0.0 117.19 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -73.08 -30.72 63.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.605 -1.309 . . . . 0.0 110.441 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.69 -26.99 65.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt -105.43 -39.5 6.12 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 128.314 2.646 . . . . 0.0 114.9 -157.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.388 . . . . . . . 0 N--CA 1.453 -0.288 0 C-N-CA 130.39 3.476 . . . . 0.0 113.005 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -62.28 -42.42 28.62 Favored 'Trans proline' 0 N--CA 1.449 -1.1 0 CA-C-O 116.875 -1.385 . . . . 0.0 115.367 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -172.01 140.35 1.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -55.93 166.33 3.11 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 CA-C-O 125.986 2.411 . . . . 0.0 113.428 165.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -74.93 -44.19 49.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 117.671 -3.143 . . . . 0.0 115.638 -167.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.8 -31.81 72.06 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 116.359 -2.136 . . . . 0.0 113.941 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt -80.02 -38.78 31.31 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 -172.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.427 . . . . . . . 0 N--CA 1.45 -0.445 0 O-C-N 119.314 -2.116 . . . . 0.0 115.223 163.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.05 -39.89 56.27 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 CA-C-O 115.678 -1.884 . . . . 0.0 112.988 175.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -162.55 162.7 27.41 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.638 1.575 . . . . 0.0 111.564 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -56.06 153.41 32.49 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 CA-C-N 125.011 2.825 . . . . 0.0 115.379 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -68.05 -24.17 65.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 115.546 -2.168 . . . . 0.0 114.327 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -69.2 -30.33 68.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 120.432 1.469 . . . . 0.0 113.728 163.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.29 21.0 mt -79.8 -123.34 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 120.642 1.564 . . . . 0.0 112.124 166.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.425 . . . . . . . 0 C--O 1.219 -0.541 0 C-N-CA 128.748 2.819 . . . . 0.0 105.935 -172.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.21 -25.44 22.17 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.152 2.568 . . . . 0.0 116.754 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.71 169.23 24.85 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -81.64 -52.34 0.04 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.572 0 N-CA-C 117.998 2.269 . . . . 0.0 117.998 -172.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.12 -35.0 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 127.278 2.231 . . . . 0.0 108.686 161.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.33 -29.41 28.3 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.841 -1.552 . . . . 0.0 113.061 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.37 -14.96 31.96 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -156.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.452 . . . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 122.581 1.181 . . . . 0.0 112.123 154.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -74.68 -26.2 11.83 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 CA-C-O 115.348 -2.022 . . . . 0.0 116.549 -174.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -153.64 150.62 28.8 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 126.95 2.656 . . . . 0.0 109.454 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -78.79 -61.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.121 0 CA-C-O 124.325 1.719 . . . . 0.0 112.884 -160.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -159.68 -76.67 0.07 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 168.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -69.89 -29.97 67.29 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 125.517 3.78 . . . . 0.0 114.544 -159.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.53 -10.65 59.77 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -167.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' DGN . . . . . . . . . . . . 2.419 . . . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 -163.055 . . . . . . . . 1 1 . 1 stop_ save_