data_1ma6_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 1ma6 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.729 0.3 . . . . 6.3300000000000001 110.763 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.831 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -57.48 -80.1 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 114.143 1.164 . . . . 5.4100000000000001 114.143 -178.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.794 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -121.39 -142.05 0.34 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.201 1.556 . . . . 3.4399999999999999 115.201 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.68 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -24.83 -34.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.288 1.958 . . . . 3.5 116.288 -175.631 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.68 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.3 -42.6 11.49 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 119.381 0.991 . . . . 6.1699999999999999 110.596 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 35.14 70.24 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.157 0.503 . . . . 2.8500000000000001 110.848 178.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.28 14.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.836 0.68 . . . . 3.21 112.836 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 8.3 t80 -139.54 -89.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.982 0.734 . . . . 2.8900000000000001 112.982 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.571 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 103.54 116.41 0.01 OUTLIER 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.26 1.024 . . . . 5.3799999999999999 109.159 -177.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.27 -13.98 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.083 -1.056 . . . . 2.5299999999999998 113.426 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.831 HD13 ' CD1' ' A' ' 2' ' ' TRP . 3.3 mt -47.78 -31.33 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.817 0.309 . . . . 2.2999999999999998 111.673 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.435 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 12.1 t80 60.64 35.24 19.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 4.5700000000000003 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 14' ' ' ARG . 1.8 p90 -78.76 -39.38 36.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 5.9299999999999997 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.3 mmt180 -108.98 29.5 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 7.6500000000000004 110.881 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.9 mmt180 -115.7 30.65 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 6.0099999999999998 110.844 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 6.3700000000000001 110.843 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.415 ' HE3' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.606 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -82.63 -105.66 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -142.77 -111.77 0.12 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.569 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -66.52 55.23 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.528 ' HD3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 175.38 36.92 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.999 177.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -69.98 70.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.77 0.795 . . . . 0.0 109.795 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -145.17 7.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.725 -178.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 2.5 t80 -135.42 -76.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 96.9 128.44 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.993 0.917 . . . . 0.0 110.802 -179.027 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.33 9.77 24.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.729 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.528 HD11 ' HD3' ' A' ' 5' ' ' ARG . 1.6 mp -46.56 -31.96 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 120.945 0.402 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 70.54 20.16 5.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.334 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD2' ' CE2' ' A' ' 2' ' ' TRP . 21.0 p90 -59.85 -52.29 66.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.102 0.477 . . . . 0.0 110.253 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.529 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.0 mmm180 -115.15 -83.31 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.915 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 24.44 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.17 0.588 . . . . 0.0 112.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.333 -0.134 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.8 mmtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.4 0.143 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.615 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -53.41 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.674 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.613 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -122.55 -127.12 0.26 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.604 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 14.8 p90 -38.88 -41.97 0.8 Allowed 'General case' 0 C--N 1.341 0.214 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.63 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 1.2 mmp_? -69.86 -43.17 72.43 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.939 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 1' ' ' LYS . 1.6 p 22.87 66.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.303 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -153.32 23.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.054 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.748 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -137.62 -94.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.507 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.748 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 3.1 mmt85 -160.38 -61.91 0.06 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 109.433 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -161.3 57.5 0.31 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.826 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.615 ' CG1' ' HB3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.24 -76.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.421 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 55.75 24.85 7.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.296 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.429 ' CE1' ' HG3' ' A' ' 14' ' ' ARG . 35.0 p90 -55.93 -24.07 35.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.155 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 1.1 mtt-85 -103.81 -51.37 3.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.518 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -66.06 -62.85 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.157 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.307 179.498 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.756 ' O ' ' CG ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.756 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 42.8 p-90 69.69 -14.2 0.36 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.75 ' CD1' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -141.27 -79.39 0.26 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.857 -0.527 . . . . 0.0 110.904 178.251 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -65.07 64.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.609 179.557 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.636 ' HD2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 170.76 -46.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.718 -178.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.6 ' HA ' ' CZ ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 36.65 69.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 122.051 0.929 . . . . 0.0 110.698 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.636 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -152.01 13.45 0.6 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.25 -178.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.539 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 74.6 t80 -159.91 -173.02 3.87 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.356 -176.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.539 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -176.43 72.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.586 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.487 ' N ' ' CE2' ' A' ' 8' ' ' TYR . . . -153.58 -21.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.992 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 1' ' ' LYS . 5.2 mt -35.4 -74.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.602 0.715 . . . . 0.0 112.041 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.479 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER 168.05 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.622 -178.791 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -40.61 -37.76 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.654 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.543 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 5.4 ptm180 -65.96 -39.95 90.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.665 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.68 -12.5 61.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.716 0.293 . . . . 0.0 110.668 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.47 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 9' ' ' ARG . 16.2 tttp . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.691 ' HZ3' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -117.31 20.36 13.68 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.685 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.08 -150.7 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.622 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -12.91 78.97 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -175.305 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.739 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 155.6 -51.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.603 175.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.739 ' HA ' ' CZ ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 34.73 66.72 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.403 1.096 . . . . 0.0 110.241 -178.288 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.558 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -149.74 11.84 0.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.854 -178.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 42.1 t80 -167.58 -179.83 4.54 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.017 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -151.66 -25.36 0.19 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.603 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -52.38 -4.49 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 120.872 -0.68 . . . . 0.0 114.661 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 2' ' ' TRP . 76.9 mt -46.82 -54.91 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.429 1.114 . . . . 0.0 110.445 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.485 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 65.59 30.91 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.992 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.62 ' CD1' ' HB3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -60.41 -46.12 91.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.986 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -118.46 -19.29 8.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.441 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -45.16 -75.03 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.697 0.284 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.694 ' CD1' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -68.43 -103.26 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.662 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.683 ' CE1' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.79 -37.89 0.22 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.48 0.312 . . . . 0.0 111.642 -179.494 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -123.48 -31.79 3.46 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.809 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.679 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mmp_? -74.54 -60.44 2.27 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.612 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 2.5 p 39.91 29.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.956 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 1.3 p90 -134.39 34.28 3.26 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.695 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -161.74 -78.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.663 -178.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.859 ' HG3' ' H ' ' A' ' 10' ' ' GLY . 8.9 tpp180 115.22 -153.33 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.859 ' H ' ' HG3' ' A' ' 9' ' ' ARG . . . 31.76 7.3 0.0 OUTLIER Glycine 0 CA--C 1.536 1.394 0 N-CA-C 117.92 1.928 . . . . 0.0 117.92 177.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.754 ' N ' ' O ' ' A' ' 9' ' ' ARG . 89.4 mt -65.57 168.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.754 1.777 . . . . 0.0 111.059 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.573 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -47.27 -23.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.236 179.252 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.694 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 1.5 p90 -41.87 -47.84 4.3 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 109.696 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.4 tpt180 -79.69 -28.89 40.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.47 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.49 ' HB2' ' HA ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -58.1 -31.98 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.342 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.655 -179.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 6' ' ' VAL . 6.7 mmmt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 119.526 -0.273 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.978 ' CD1' HD13 ' A' ' 11' ' ' ILE 0.284 0.0 OUTLIER -77.7 -102.41 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.58 -1.248 . . . . 0.0 110.853 -179.89 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.972 ' N ' ' CE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -98.42 -122.48 0.14 Allowed 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 179.389 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.651 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -62.53 -70.51 0.2 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -174.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.651 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -68.35 -70.11 0.28 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.304 0.573 . . . . 0.0 109.998 -176.76 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.776 ' N ' ' CZ3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER 63.39 -60.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.296 176.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.755 ' CD1' ' C ' ' A' ' 6' ' ' VAL . 1.8 p90 37.44 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.057 0.455 . . . . 0.0 111.522 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 1.6 t80 -163.74 -177.44 5.16 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.518 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 6.2 ptm180 -102.52 94.02 5.44 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.514 ' C ' ' HE1' ' A' ' 8' ' ' TYR . . . 51.73 84.54 0.02 OUTLIER Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.941 177.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.978 HD13 ' CD1' ' A' ' 2' ' ' TRP . 3.4 mp -59.88 -38.15 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.019 0.437 . . . . 0.0 110.631 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 6.1 t80 57.07 24.82 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.444 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.482 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -100.05 5.05 45.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.614 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -135.6 -63.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.101 -179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -52.42 24.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.426 ' HA ' ' CE1' ' A' ' 12' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.168 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 7.7 mmtt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 110.822 -0.066 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.799 ' NE1' ' HB ' ' A' ' 11' ' ' ILE . 1.3 m-90 -48.49 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.658 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 164.21 -65.26 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.429 -176.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.545 ' CZ ' ' CZ ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -58.19 53.31 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.264 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.7 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 165.92 -35.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.413 -0.915 . . . . 0.0 113.46 178.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.7 ' HA ' ' CZ ' ' A' ' 5' ' ' ARG . 1.2 p 25.62 72.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.85 0.833 . . . . 0.0 111.325 -176.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.626 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -171.96 21.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.499 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.658 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 48.4 t80 -165.82 174.39 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.584 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.3 ptt85 -156.0 69.99 0.68 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.514 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.658 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . -155.13 -22.35 0.04 OUTLIER Glycine 0 CA--C 1.527 0.782 0 C-N-CA 120.404 -0.903 . . . . 0.0 114.384 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.799 ' HB ' ' NE1' ' A' ' 2' ' ' TRP . 5.4 mt -48.16 -43.31 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.047 0.924 . . . . 0.0 110.127 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 47.44 26.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.748 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CZ ' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -101.4 29.64 4.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.3 0.571 . . . . 0.0 110.829 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -32.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -27.65 0.33 Allowed 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.529 0.157 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.575 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 1' ' ' LYS . 1.6 mmmp? . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.694 0.283 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.564 ' HB3' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 -149.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.595 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.647 ' CD2' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -134.71 -123.99 0.16 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.688 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -32.9 -31.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -176.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.688 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -114.9 -28.3 7.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.993 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.564 ' HA ' ' HB3' ' A' ' 2' ' ' TRP . 1.1 p 35.71 68.02 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.141 0.496 . . . . 0.0 111.559 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.534 ' CZ ' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -133.37 9.04 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.054 -178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 40.1 t80 -131.62 166.63 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.502 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.647 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -125.19 114.83 19.52 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.419 ' O ' ' HE1' ' A' ' 8' ' ' TYR . . . 61.82 91.68 0.02 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.335 -0.848 . . . . 0.0 115.163 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.622 ' CG1' ' CD1' ' A' ' 8' ' ' TYR . 4.2 mt -112.06 -33.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.255 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.2 t80 63.76 18.92 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.58 -70.72 0.39 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -98.62 27.54 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -23.19 17.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.183 -179.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.73 ' HB3' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.642 0.258 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.931 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 33.22 95.94 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.875 0.87 . . . . 0.0 112.046 -178.136 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.931 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 88.13 -161.54 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 177.115 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' CD2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -14.5 -62.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.286 -1.324 . . . . 0.0 113.364 -179.297 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.477 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 4.2 mmp_? -61.9 -59.83 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.153 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 1' ' ' LYS . 1.9 p 37.6 73.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.321 0.582 . . . . 0.0 111.149 178.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -167.64 28.46 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.092 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.642 ' CD1' ' HD3' ' A' ' 9' ' ' ARG . 5.2 t80 -145.47 -127.21 0.07 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.68 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.642 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 174.42 35.26 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.103 0.411 . . . . 0.0 110.867 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.13 -104.35 0.3 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.961 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.73 HD13 ' HB3' ' A' ' 1' ' ' LYS . 1.4 mt 69.87 -49.57 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 122.798 0.439 . . . . 0.0 110.913 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.463 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.4 OUTLIER 76.16 34.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 12.8 p90 -68.48 -54.13 18.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.145 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.523 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 44.8 ptt85 -104.57 29.67 5.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.572 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 6.1 mmt180 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 48.2 p90 . . . . . 0 N--CA 1.463 0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.797 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 111.483 0.179 . . . . 0.0 111.483 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.793 ' CE2' ' HE1' ' A' ' 3' ' ' TYR . 1.7 t90 -37.88 95.68 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 123.87 1.795 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.793 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -34.62 -121.2 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 110.084 -3.235 . . . . 0.0 115.177 -178.369 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.688 ' CD2' ' CH2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.63 75.69 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 149.04 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.595 177.586 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 2.0 p 36.96 69.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.981 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CD2' ' HB2' ' A' ' 5' ' ' ARG . 1.2 p90 -125.85 -13.47 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.362 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.684 ' CD1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -113.56 -81.32 0.6 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 121.295 -0.162 . . . . 0.0 111.359 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.684 ' HB2' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 178.3 -38.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.982 -178.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.491 ' C ' ' CE2' ' A' ' 8' ' ' TYR . . . 163.08 89.8 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.447 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.68 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 1.9 mp -38.62 -81.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.381 0.673 . . . . 0.0 111.81 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 177.74 35.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.554 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -55.49 -41.08 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.54 15.76 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.477 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -124.75 27.57 6.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.419 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.801 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 12.7 mttp . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.801 ' CE3' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -24.94 -37.58 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -176.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.71 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -172.79 -90.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -176.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 32.2 p90 -41.32 -20.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.497 ' CB ' ' CE1' ' A' ' 7' ' ' TYR . 1.4 mmp_? -107.48 -37.61 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.47 0.577 . . . . 0.0 111.743 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER 39.5 68.11 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 121.832 0.825 . . . . 0.0 111.839 178.081 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -156.15 22.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.546 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.558 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 85.3 t80 -166.38 179.54 5.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.944 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.75 112.85 11.71 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 54.76 88.46 0.01 OUTLIER Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.634 -1.166 . . . . 0.0 114.836 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.676 HD11 ' HD3' ' A' ' 1' ' ' LYS . 3.1 mp -74.26 -40.81 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 12' ' ' TYR . 3.1 t80 63.33 67.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.637 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 11.5 p90 -93.59 -46.39 7.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.753 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -136.94 50.48 2.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 111.357 -179.494 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.68 37.31 3.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.259 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.464 ' N ' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.516 0.198 . . . . 0.0 110.739 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.623 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -50.88 -81.34 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.452 -179.323 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.623 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -127.18 -124.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -178.385 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.552 ' C ' ' HG2' ' A' ' 5' ' ' ARG . 2.6 p90 -45.97 144.11 1.97 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.714 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.552 ' HG2' ' C ' ' A' ' 4' ' ' PHE . 0.8 OUTLIER 84.33 -48.83 0.11 Allowed 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.498 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.601 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.02 67.47 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 122.135 0.969 . . . . 0.0 110.967 178.208 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.417 ' C ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.2 16.99 1.9 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.107 -178.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.817 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -142.43 -118.29 0.1 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.133 -178.005 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.817 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 ppt_? 151.04 -67.78 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.759 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.592 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -64.99 28.57 0.11 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.096 -0.574 . . . . 0.0 114.289 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.766 ' CG1' ' CD2' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -78.08 -44.03 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 117.677 0.738 . . . . 0.0 111.251 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CD2' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 67.52 12.96 9.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.459 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER 34.7 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.156 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -101.56 -78.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.468 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER 32.36 -89.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.034 0.534 . . . . 0.0 112.391 179.44 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.2 p90 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.923 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.658 ' CE2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.81 -84.39 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.345 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.653 ' CE1' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -129.41 -123.29 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.529 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.653 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -7.42 -72.13 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.3 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -76.34 -34.92 58.97 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.268 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' TYR . 1.4 p 35.73 68.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.214 0.531 . . . . 0.0 110.767 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -143.66 -43.6 0.28 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.843 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.539 ' HE1' ' H ' ' A' ' 11' ' ' ILE . 15.2 t80 -106.18 154.82 20.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.811 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 102.36 10.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.12 -95.59 0.14 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.658 ' CD1' ' CE2' ' A' ' 2' ' ' TRP . 4.6 mt 63.97 -45.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.474 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 72.79 45.3 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 14' ' ' ARG . 10.4 p90 -77.94 -51.15 10.85 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.737 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -126.97 -23.42 3.64 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 4.3 ptp180 -54.54 -19.99 6.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 14' ' ' ARG . 27.1 p90 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 111.508 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.641 ' CA ' ' HB ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.719 0.295 . . . . 0.0 111.463 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.628 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.35 -60.51 3.69 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.747 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -154.51 -113.79 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -174.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.553 ' CE1' ' NE ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -45.69 -7.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -175.22 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.583 ' CZ ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -156.95 34.65 0.3 Allowed 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.612 -179.206 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.641 ' HB ' ' CA ' ' A' ' 1' ' ' LYS . 2.8 m -56.61 120.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 113.492 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -147.89 16.57 1.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.064 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.694 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 5.7 t80 -142.15 -93.48 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.694 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 159.15 36.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -179.785 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' N ' ' CE2' ' A' ' 8' ' ' TYR . . . 162.88 -92.68 0.11 Allowed Glycine 0 C--N 1.335 0.518 0 C-N-CA 119.712 -1.232 . . . . 0.0 113.391 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.628 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER 70.86 -63.94 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.237 0.615 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 55.45 29.66 13.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.688 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.478 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -76.91 -36.72 56.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.153 -179.227 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.431 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 11.8 ptm180 -136.68 21.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -62.92 1.36 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 8' ' ' TYR . 4.0 tttm . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.227 0.084 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.853 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -102.69 -102.44 0.28 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -179.592 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.728 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -91.57 -98.02 0.12 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 117.122 2.268 . . . . 0.0 117.122 -175.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CE2' ' CG ' ' A' ' 5' ' ' ARG . 8.4 p90 -55.35 -71.24 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.564 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -75.63 -76.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.321 0.509 . . . . 0.0 110.14 -178.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.681 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 50.34 27.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-O 122.007 0.908 . . . . 0.0 110.725 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.503 ' OH ' ' CZ ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -42.67 -45.45 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.636 178.479 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.633 ' O ' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -124.03 -152.73 0.52 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.533 178.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.58 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -127.77 -31.0 2.47 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -177.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.509 ' HA3' ' CE2' ' A' ' 8' ' ' TYR . . . -41.49 -20.78 0.05 OUTLIER Glycine 0 N--CA 1.466 0.64 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.66 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.853 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -22.51 145.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.745 ' CG ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -84.31 -28.41 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.931 -1.486 . . . . 0.0 107.024 176.465 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.639 ' HD1' ' CG2' ' A' ' 11' ' ' ILE . 10.3 p90 52.78 -70.61 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 113.852 -1.522 . . . . 0.0 114.225 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.536 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -105.13 -80.38 0.55 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.005 0.366 . . . . 0.0 111.846 -178.776 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.745 ' HG2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 25.51 -124.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.285 0.634 . . . . 0.0 112.491 179.123 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.695 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.844 0.354 . . . . 0.0 111.031 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.724 ' CE2' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.22 -81.28 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.187 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.641 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -130.74 -179.12 5.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CE2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 p90 23.77 -65.6 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.614 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -73.34 -41.84 62.98 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 119.115 0.871 . . . . 0.0 111.072 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 35.92 69.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.488 178.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.76 -1.78 4.22 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -178.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.688 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 3.2 t80 -107.72 -84.35 0.53 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.688 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 154.84 81.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.7 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.83 84.25 0.02 OUTLIER Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.373 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.724 HD11 ' CE2' ' A' ' 2' ' ' TRP . 3.3 mp -60.13 -18.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.536 0.208 . . . . 0.0 111.467 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 68.5 35.52 3.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 9.9 p90 -78.16 -47.38 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -108.01 -21.64 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.45 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -49.14 -64.09 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.718 0.294 . . . . 0.0 111.059 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 179.787 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.651 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.638 0.256 . . . . 0.0 111.076 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CD2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 94.33 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.244 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -151.29 -76.56 0.14 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.09 -179.128 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CD2' ' HG2' ' A' ' 5' ' ' ARG . 40.9 p90 -47.46 -24.63 0.87 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HB2' ' HB3' ' A' ' 1' ' ' LYS . 1.1 mmp_? -98.85 -41.3 7.69 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.642 0.258 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 42.25 28.65 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-O 121.356 0.598 . . . . 0.0 111.952 178.135 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.651 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 0.6 OUTLIER -117.56 27.87 8.8 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.807 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -144.89 -80.94 0.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 -179.542 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.623 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.13 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.0 110.001 -178.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.64 87.81 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.082 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.706 ' O ' ' HD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.49 -39.5 79.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.549 -0.826 . . . . 0.0 111.781 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.706 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 31.16 35.78 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.762 0.791 . . . . 0.0 112.181 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ILE . 28.4 p90 -40.72 -45.18 2.35 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.111 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 4.5 ttt-85 -66.84 -61.9 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.88 0.371 . . . . 0.0 110.516 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.608 ' CG ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.67 79.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.452 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.6 t80 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.043 -179.839 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.627 ' CE2' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -81.07 -114.14 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.589 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.627 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -163.94 -76.77 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.221 0.534 . . . . 0.0 111.861 -179.413 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -49.78 -24.2 2.25 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.165 -178.354 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.647 ' HD2' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -131.79 -39.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.718 0.294 . . . . 0.0 111.305 -179.05 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 5.3 p 41.1 57.38 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.974 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.647 ' CZ ' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -125.11 9.81 8.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.467 179.477 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.708 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -135.85 -108.1 0.21 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.45 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 ptm180 150.04 -71.33 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.524 0.602 . . . . 0.0 112.473 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -38.33 -17.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.606 HG21 ' NE1' ' A' ' 2' ' ' TRP . 11.1 mt -35.88 158.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.243 1.021 . . . . 0.0 111.72 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.646 ' CZ ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-30 -85.35 43.18 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CE1' ' HB2' ' A' ' 14' ' ' ARG . 19.6 p90 -83.4 -42.92 16.46 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.964 0.412 . . . . 0.0 110.429 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.465 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.4 mtp180 -102.03 -54.18 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.504 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.646 ' HD2' ' CZ ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -44.91 -38.27 4.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.068 0.461 . . . . 0.0 111.214 -179.685 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.8 p90 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.648 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 11' ' ' ILE . 22.0 mmtt . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.54 ' CZ2' ' CZ ' ' A' ' 3' ' ' TYR . 4.4 p-90 -23.65 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.002 0.521 . . . . 0.0 112.073 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.714 ' H ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.83 -130.24 0.25 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.624 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -20.78 -43.48 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -176.426 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.591 ' HB2' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -95.23 -36.98 11.23 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.743 1.156 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.635 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER 40.71 29.58 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.605 0.717 . . . . 0.0 111.601 177.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -78.07 -20.11 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 9' ' ' ARG . 22.5 t80 -133.73 -70.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.258 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER 92.35 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.74 0.816 . . . . 0.0 111.864 -179.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . 94.43 -5.75 70.91 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.882 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 1' ' ' LYS . 3.8 mp -0.34 -59.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.801 0.84 . . . . 0.0 113.094 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.667 ' N ' ' O ' ' A' ' 10' ' ' GLY . 4.6 t80 110.76 -0.58 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.352 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 5.8 p90 -79.53 -45.07 19.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -96.43 -14.62 22.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.869 178.258 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.559 ' HB3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.53 87.4 6.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.607 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 0.0 111.04 -179.851 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 1.4 mptp? . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.67 0.271 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.604 ' CB ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -66.62 -105.27 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.802 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -164.72 -145.32 0.08 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.659 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.609 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -0.13 61.71 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -177.806 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.802 ' HG3' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 157.67 -50.98 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.711 0.767 . . . . 0.0 109.931 177.328 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 1.7 p 40.05 56.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.123 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -112.0 -10.98 13.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.17 178.195 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.701 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -138.72 146.67 41.8 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.257 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.701 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -33.8 -35.26 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 122.802 0.441 . . . . 0.0 112.138 178.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 11' ' ' ILE . . . -160.04 -108.29 0.24 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.012 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' CB ' ' A' ' 2' ' ' TRP . 0.6 OUTLIER 179.01 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 77.94 33.06 0.36 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.131 -177.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -73.27 -49.31 28.38 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.248 -179.672 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -101.81 20.37 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.182 179.866 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -102.57 -71.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.227 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 1' ' ' LYS . 3.5 ttmm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.23 0.062 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.782 ' CZ2' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -84.52 17.17 2.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.568 -0.853 . . . . 0.0 113.089 -179.372 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.782 ' HE1' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.02 -161.55 0.0 OUTLIER 'General case' 0 C--N 1.362 1.128 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 175.555 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' ' CH2' ' A' ' 2' ' ' TRP . 10.9 p90 7.76 -74.99 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -175.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.608 ' HD2' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -70.57 -45.35 65.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.799 1.181 . . . . 0.0 111.622 -178.349 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.608 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 1.5 p 45.07 18.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 179.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.608 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 1.2 p90 -76.49 -17.31 59.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 178.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 9' ' ' ARG . 26.7 t80 -125.44 169.01 12.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.13 -179.001 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -65.54 -150.36 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.687 179.547 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -79.7 54.98 4.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.729 -0.748 . . . . 0.0 114.584 -177.777 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 3.0 mp 21.53 -81.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 178.35 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' A' ' 10' ' ' GLY . 1.3 t80 170.38 -1.69 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.358 -179.043 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 14' ' ' ARG . 11.1 p90 -44.11 -46.26 8.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -114.92 28.33 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.149 -179.897 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.5 -85.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.796 0.332 . . . . 0.0 111.601 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.694 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 4.8 tptm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.744 ' CZ2' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.71 -55.77 17.63 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.253 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.732 ' CE1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -138.98 -88.28 0.22 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 116.968 2.21 . . . . 0.0 116.968 -175.884 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.614 ' C ' ' HG3' ' A' ' 5' ' ' ARG . 47.4 p90 -50.29 19.42 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -174.248 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.721 HH22 ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -168.93 -37.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.521 1.964 . . . . 0.0 113.372 178.513 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.718 ' H ' ' NH2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 37.01 84.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.659 0.742 . . . . 0.0 110.461 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.699 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 8.7 p90 -145.43 -0.55 0.85 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.748 -1.115 . . . . 0.0 112.349 -177.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.622 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER -137.94 -78.29 0.37 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.665 -177.076 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.694 ' HA ' ' HB3' ' A' ' 1' ' ' LYS . 3.0 ptt180 111.92 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 177.069 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.622 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -58.03 0.63 0.32 Allowed Glycine 0 CA--C 1.53 1.025 0 C-N-CA 119.277 -1.44 . . . . 0.0 113.49 -179.102 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.744 HD11 ' CZ2' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -59.04 155.07 2.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.134 0 CA-C-N 117.317 0.558 . . . . 0.0 111.125 -179.654 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.544 ' N ' HG23 ' A' ' 11' ' ' ILE . 6.8 t80 -93.57 50.52 1.48 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HB3' ' HB3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -53.29 -117.62 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.629 -177.826 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -25.27 0.68 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.087 179.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 1.9 mtt85 -44.08 -37.62 3.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.513 ' HB2' ' HE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.718 ' NE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -43.65 -44.99 6.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.05 0.841 . . . . 0.0 112.4 -179.532 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.718 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -176.37 -157.54 0.05 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 178.639 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -38.87 148.57 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -178.916 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.547 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 1.9 mmp_? 96.89 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 24.87 88.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.92 177.118 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.25 13.12 0.57 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.639 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.739 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -128.68 -107.06 0.3 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.437 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 55.9 mtt180 -157.68 -42.87 0.07 Allowed 'General case' 0 C--N 1.343 0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.273 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.14 104.5 0.18 Allowed Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.193 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.679 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 3.1 mp -90.74 -36.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.166 -0.517 . . . . 0.0 111.278 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 72.47 -58.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.693 -178.122 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 12' ' ' TYR . 40.4 p90 52.44 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 112.796 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -153.86 37.7 0.46 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.519 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 2.3 mtm105 -80.18 -47.46 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.595 179.287 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.207 -179.5 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.82 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.312 0.101 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.605 ' CZ3' ' CG ' ' A' ' 3' ' ' TYR . 29.9 p-90 -100.0 -21.73 15.52 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.623 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.63 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.54 -102.2 0.28 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.676 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.65 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -40.51 -27.93 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.73 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.65 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -102.85 -44.79 5.17 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.835 179.775 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 2.1 p 39.48 71.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.197 0.522 . . . . 0.0 111.382 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.753 ' CE1' ' HG3' ' A' ' 1' ' ' LYS . 0.3 OUTLIER -157.16 14.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.016 -178.855 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -171.57 -35.6 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.582 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.804 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.2 ptt85 52.45 -100.04 0.09 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -177.415 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' ARG . . . 4.43 46.54 0.0 OUTLIER Glycine 0 N--CA 1.467 0.761 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.82 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 18.0 mt -97.93 -64.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.805 0.812 . . . . 0.0 110.516 -179.537 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 169.27 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.184 -178.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.55 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -38.49 -48.82 1.44 Allowed 'General case' 0 C--N 1.341 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.923 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 8.5 tmm_? -70.04 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.649 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -79.59 60.17 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 4.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.63 0.252 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 1.089 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -96.48 -119.22 0.12 Allowed 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.496 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 1.089 ' HD1' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.5 -76.3 0.12 Allowed 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.234 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.834 ' CE1' ' CE3' ' A' ' 2' ' ' TRP . 1.1 p90 -57.98 -26.48 62.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.673 177.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.839 ' NE ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -100.03 -43.98 6.17 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.171 -178.241 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.559 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 9.4 p 7.82 52.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.839 ' CD1' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -122.59 -7.06 8.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.276 0.56 . . . . 0.0 109.589 177.536 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.601 ' HE2' ' H ' ' A' ' 11' ' ' ILE . 3.5 t80 -145.39 171.06 15.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.278 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.545 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -120.24 102.58 8.59 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.749 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 -89.67 0.11 Allowed Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.787 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.82 HD13 ' CD1' ' A' ' 2' ' ' TRP . 4.4 mt 45.05 -102.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 122.607 0.363 . . . . 0.0 111.289 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 172.76 31.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.71 0.29 . . . . 0.0 110.567 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.637 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 40.6 p90 -64.52 -48.87 73.53 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.057 0.456 . . . . 0.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.4 mmt-85 -111.75 36.78 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 23.3 mmt-85 -130.58 30.25 4.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.688 ' HB2' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.986 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -89.79 -108.22 0.09 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 118.299 -1.36 . . . . 0.0 113.145 -179.839 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.674 ' CD1' ' CE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -99.5 -97.99 0.23 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.472 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD1' ' CZ3' ' A' ' 2' ' ' TRP . 1.2 p90 -63.8 55.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.213 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.087 ' NH2' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -162.42 -70.33 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.218 -0.301 . . . . 0.0 111.494 177.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 43.76 4.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -179.733 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.718 ' CE1' ' NH2' ' A' ' 5' ' ' ARG . 2.2 p90 -84.15 3.22 35.95 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.823 -0.548 . . . . 0.0 110.613 178.584 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 1.087 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -165.39 159.22 16.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 123.328 0.651 . . . . 0.0 110.068 179.318 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.688 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 3.0 ptt-85 -125.9 114.78 18.98 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.487 178.614 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.569 ' HA3' ' CZ ' ' A' ' 8' ' ' TYR . . . 155.45 -12.94 0.42 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.463 -1.351 . . . . 0.0 113.529 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.986 HD13 ' CE2' ' A' ' 2' ' ' TRP . 49.6 mt -36.74 -52.84 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 117.266 0.533 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 12' ' ' TYR . 78.8 t80 68.04 42.65 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.323 179.431 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.496 ' CD1' ' HD1' ' A' ' 2' ' ' TRP . 21.3 p90 -45.61 -52.23 10.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.767 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 16' ' ' TYR . 9.3 mtt180 -131.96 -77.63 0.51 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.455 179.31 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 mmt85 44.76 -83.57 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.289 0.566 . . . . 0.0 112.079 178.525 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.441 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.516 ' CB ' HG21 ' A' ' 6' ' ' VAL . 3.9 mtpp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.276 0.084 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.609 ' C ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.95 -95.71 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.562 -179.273 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.581 ' CD2' ' NE1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -115.34 -120.91 0.3 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -176.418 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.565 ' CE1' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -60.44 -70.93 0.15 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.778 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.527 ' C ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -83.98 -66.11 0.93 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -178.961 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.539 ' C ' ' CG ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER 59.07 -51.59 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.439 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' A' ' 6' ' ' VAL . 0.9 OUTLIER 47.02 8.16 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.905 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.613 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -162.36 139.28 8.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.161 0.505 . . . . 0.0 111.57 -178.874 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.617 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -81.83 88.08 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.995 178.824 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.523 ' C ' ' CZ ' ' A' ' 8' ' ' TYR . . . 128.6 18.11 1.83 Allowed Glycine 0 C--N 1.337 0.632 0 C-N-CA 119.817 -1.182 . . . . 0.0 114.898 179.016 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.613 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -24.31 -65.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 117.937 0.868 . . . . 0.0 112.341 -178.441 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 12' ' ' TYR . 53.2 t80 71.57 9.32 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.018 -179.404 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -74.49 -49.88 20.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.212 0.529 . . . . 0.0 110.37 179.695 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.21 -18.68 63.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.843 -179.638 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -58.14 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.511 179.551 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 14' ' ' ARG . 53.0 p90 . . . . . 0 N--CA 1.463 0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.545 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 3' ' ' TYR . 13.8 mtmm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.782 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -12.09 79.29 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.471 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER 13.93 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 112.39 -2.186 . . . . 0.0 115.531 176.348 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CZ ' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.84 57.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.092 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 171.05 -46.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.584 0.23 . . . . 0.0 111.114 178.332 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 1.7 p 30.68 56.21 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.813 0.816 . . . . 0.0 111.54 -178.891 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.515 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -151.75 23.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.233 179.558 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CD2' HG12 ' A' ' 11' ' ' ILE . 48.4 t80 -150.4 176.03 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.29 -177.798 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.525 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 11.9 ptm180 -124.63 118.51 26.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.739 0.78 . . . . 0.0 112.969 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.437 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 42.22 99.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 114.39 -1.277 . . . . 0.0 114.344 178.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.711 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 9.1 mt -86.87 -66.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.101 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.8 t80 85.28 30.83 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 -179.318 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -60.85 -53.88 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -179.653 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -81.35 -46.63 14.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.733 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' NH1' ' CH2' ' A' ' 2' ' ' TRP . 4.1 mtm-85 -50.97 109.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.009 -179.83 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.466 0.174 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.685 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -83.0 62.25 6.45 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.211 0.529 . . . . 0.0 111.045 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.694 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER 28.76 -167.76 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 178.34 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 11.38 36.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -178.733 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.736 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -152.32 -63.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.796 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.603 ' CG1' ' C ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 56.21 -42.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 175.665 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -43.77 -31.14 0.75 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.183 0.516 . . . . 0.0 112.149 -178.916 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.965 ' HD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -94.89 -16.65 22.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.148 -178.537 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.965 ' N ' ' HD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 71.45 -52.78 0.69 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -175.288 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -138.08 80.33 0.29 Allowed Glycine 0 C--N 1.334 0.432 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 178.558 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.815 HG12 ' CZ ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -5.18 -86.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.354 0.662 . . . . 0.0 112.655 -178.195 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.593 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 58.4 t80 134.33 -11.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.815 0.846 . . . . 0.0 109.802 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -58.96 -44.58 91.52 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.472 -179.473 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 12.3 mtm180 -64.89 -59.64 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.821 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -54.83 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.699 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.408 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 47.4 t80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.57 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 8' ' ' TYR . 3.5 mtmp? . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 110.834 -0.061 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.772 ' CZ3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -51.64 -44.95 63.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 118.864 -1.134 . . . . 0.0 112.998 -177.511 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.747 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -173.86 -86.72 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.524 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -64.16 62.25 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -177.234 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.771 ' HD3' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 168.87 -55.67 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.064 0.459 . . . . 0.0 112.067 177.736 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.771 ' H ' ' HD3' ' A' ' 5' ' ' ARG . 1.7 p 37.11 71.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.734 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 5' ' ' ARG . 2.4 p90 -144.52 2.25 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 178.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -164.77 141.63 6.09 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 122.823 0.449 . . . . 0.0 111.047 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -104.75 124.84 50.1 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.598 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.532 ' C ' ' OH ' ' A' ' 8' ' ' TYR . . . 135.82 -3.69 3.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.801 -179.538 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.648 HD13 ' CD2' ' A' ' 2' ' ' TRP . 5.4 mt -46.53 172.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.803 0.811 . . . . 0.0 113.088 -177.424 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.549 ' H ' ' CG2' ' A' ' 11' ' ' ILE . 47.1 t80 -94.55 77.9 3.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.274 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.492 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -93.96 -91.21 0.19 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.131 -179.313 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmt-85 -48.76 -26.32 2.29 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.037 0.446 . . . . 0.0 110.654 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . 7.5 mmm-85 -54.99 -25.38 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 179.548 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.16 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.729 0.3 . . . . 6.3300000000000001 110.763 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.831 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -57.48 -80.1 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 114.143 1.164 . . . . 5.4100000000000001 114.143 -178.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.794 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -121.39 -142.05 0.34 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.201 1.556 . . . . 3.4399999999999999 115.201 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.68 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -24.83 -34.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.288 1.958 . . . . 3.5 116.288 -175.631 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.68 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.3 -42.6 11.49 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 119.381 0.991 . . . . 6.1699999999999999 110.596 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 35.14 70.24 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.157 0.503 . . . . 2.8500000000000001 110.848 178.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.28 14.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.836 0.68 . . . . 3.21 112.836 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 8.3 t80 -139.54 -89.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.982 0.734 . . . . 2.8900000000000001 112.982 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.571 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 103.54 116.41 0.01 OUTLIER 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.26 1.024 . . . . 5.3799999999999999 109.159 -177.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.27 -13.98 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.083 -1.056 . . . . 2.5299999999999998 113.426 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.831 HD13 ' CD1' ' A' ' 2' ' ' TRP . 3.3 mt -47.78 -31.33 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.817 0.309 . . . . 2.2999999999999998 111.673 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.435 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 12.1 t80 60.64 35.24 19.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 4.5700000000000003 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 14' ' ' ARG . 1.8 p90 -78.76 -39.38 36.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 5.9299999999999997 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.3 mmt180 -108.98 29.5 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 7.6500000000000004 110.881 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.9 mmt180 -115.7 30.65 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 6.0099999999999998 110.844 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.43 ' CE2' ' NH2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -62.68 129.89 42.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 6.3700000000000001 110.843 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' NH2' ' CE2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.238 -0.887 . . . . 7.3300000000000001 110.9 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' HE3' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.606 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -82.63 -105.66 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -142.77 -111.77 0.12 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.569 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -66.52 55.23 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.528 ' HD3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 175.38 36.92 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.999 177.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -69.98 70.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.77 0.795 . . . . 0.0 109.795 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -145.17 7.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.725 -178.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 2.5 t80 -135.42 -76.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 96.9 128.44 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.993 0.917 . . . . 0.0 110.802 -179.027 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.33 9.77 24.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.729 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.528 HD11 ' HD3' ' A' ' 5' ' ' ARG . 1.6 mp -46.56 -31.96 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 120.945 0.402 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 70.54 20.16 5.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.334 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD2' ' CE2' ' A' ' 2' ' ' TRP . 21.0 p90 -59.85 -52.29 66.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.102 0.477 . . . . 0.0 110.253 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.529 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.0 mmm180 -115.15 -83.31 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.915 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 24.44 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.17 0.588 . . . . 0.0 112.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER 57.69 166.93 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.8 mmtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.4 0.143 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.615 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -53.41 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.674 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.613 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -122.55 -127.12 0.26 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.604 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 14.8 p90 -38.88 -41.97 0.8 Allowed 'General case' 0 C--N 1.341 0.214 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.63 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 1.2 mmp_? -69.86 -43.17 72.43 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.939 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 1' ' ' LYS . 1.6 p 22.87 66.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.303 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -153.32 23.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.054 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.748 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -137.62 -94.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.507 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.748 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 3.1 mmt85 -160.38 -61.91 0.06 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 109.433 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -161.3 57.5 0.31 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.826 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.615 ' CG1' ' HB3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.24 -76.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.421 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 55.75 24.85 7.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.296 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.429 ' CE1' ' HG3' ' A' ' 14' ' ' ARG . 35.0 p90 -55.93 -24.07 35.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.155 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 1.1 mtt-85 -103.81 -51.37 3.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.518 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -66.06 -62.85 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.157 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 60.54 119.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.307 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.857 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.756 ' O ' ' CG ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.756 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 42.8 p-90 69.69 -14.2 0.36 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.75 ' CD1' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -141.27 -79.39 0.26 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.857 -0.527 . . . . 0.0 110.904 178.251 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -65.07 64.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.609 179.557 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.636 ' HD2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 170.76 -46.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.718 -178.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.6 ' HA ' ' CZ ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 36.65 69.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 122.051 0.929 . . . . 0.0 110.698 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.636 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -152.01 13.45 0.6 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.25 -178.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.539 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 74.6 t80 -159.91 -173.02 3.87 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.356 -176.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -176.43 72.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.586 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.487 ' N ' ' CE2' ' A' ' 8' ' ' TYR . . . -153.58 -21.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.992 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 1' ' ' LYS . 5.2 mt -35.4 -74.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.602 0.715 . . . . 0.0 112.041 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.479 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER 168.05 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.622 -178.791 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -40.61 -37.76 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.654 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 5.4 ptm180 -65.96 -39.95 90.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.665 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.68 -12.5 61.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.716 0.293 . . . . 0.0 110.668 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -46.93 171.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.47 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.941 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 9' ' ' ARG . 16.2 tttp . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.691 ' HZ3' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -117.31 20.36 13.68 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.685 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.08 -150.7 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.622 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -12.91 78.97 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -175.305 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.739 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 155.6 -51.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.603 175.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.739 ' HA ' ' CZ ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 34.73 66.72 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.403 1.096 . . . . 0.0 110.241 -178.288 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.558 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -149.74 11.84 0.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.854 -178.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 42.1 t80 -167.58 -179.83 4.54 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.017 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -151.66 -25.36 0.19 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.603 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -52.38 -4.49 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 120.872 -0.68 . . . . 0.0 114.661 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 2' ' ' TRP . 76.9 mt -46.82 -54.91 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.429 1.114 . . . . 0.0 110.445 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.485 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 65.59 30.91 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.992 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.62 ' CD1' ' HB3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -60.41 -46.12 91.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.986 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -118.46 -19.29 8.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.441 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -45.16 -75.03 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 68.11 -66.64 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.697 0.284 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.694 ' CD1' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -68.43 -103.26 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.662 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.683 ' CE1' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.79 -37.89 0.22 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.48 0.312 . . . . 0.0 111.642 -179.494 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -123.48 -31.79 3.46 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.809 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.679 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mmp_? -74.54 -60.44 2.27 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.612 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 2.5 p 39.91 29.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.956 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 1.3 p90 -134.39 34.28 3.26 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.695 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -161.74 -78.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.663 -178.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.859 ' HG3' ' H ' ' A' ' 10' ' ' GLY . 8.9 tpp180 115.22 -153.33 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.859 ' H ' ' HG3' ' A' ' 9' ' ' ARG . . . 31.76 7.3 0.0 OUTLIER Glycine 0 CA--C 1.536 1.394 0 N-CA-C 117.92 1.928 . . . . 0.0 117.92 177.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.754 ' N ' ' O ' ' A' ' 9' ' ' ARG . 89.4 mt -65.57 168.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.754 1.777 . . . . 0.0 111.059 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.573 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -47.27 -23.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.236 179.252 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.694 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 1.5 p90 -41.87 -47.84 4.3 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 109.696 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.4 tpt180 -79.69 -28.89 40.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.47 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' HB2' ' HA ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -58.1 -31.98 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.342 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -45.52 150.15 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.655 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 6' ' ' VAL . 6.7 mmmt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 119.526 -0.273 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.978 ' CD1' HD13 ' A' ' 11' ' ' ILE 0.284 0.0 OUTLIER -77.7 -102.41 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.58 -1.248 . . . . 0.0 110.853 -179.89 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.972 ' N ' ' CE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -98.42 -122.48 0.14 Allowed 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 179.389 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.651 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -62.53 -70.51 0.2 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -174.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.651 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -68.35 -70.11 0.28 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.304 0.573 . . . . 0.0 109.998 -176.76 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.776 ' N ' ' CZ3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER 63.39 -60.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.296 176.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.755 ' CD1' ' C ' ' A' ' 6' ' ' VAL . 1.8 p90 37.44 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.057 0.455 . . . . 0.0 111.522 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 1.6 t80 -163.74 -177.44 5.16 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.518 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 6.2 ptm180 -102.52 94.02 5.44 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.514 ' C ' ' HE1' ' A' ' 8' ' ' TYR . . . 51.73 84.54 0.02 OUTLIER Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.941 177.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.978 HD13 ' CD1' ' A' ' 2' ' ' TRP . 3.4 mp -59.88 -38.15 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.019 0.437 . . . . 0.0 110.631 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 6.1 t80 57.07 24.82 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.444 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.482 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -100.05 5.05 45.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.614 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -135.6 -63.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.101 -179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -52.42 24.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.426 ' HA ' ' CE1' ' A' ' 12' ' ' TYR . 0.6 OUTLIER 57.01 166.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.168 179.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.92 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 7.7 mmtt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 110.822 -0.066 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.799 ' NE1' ' HB ' ' A' ' 11' ' ' ILE . 1.3 m-90 -48.49 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.658 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 164.21 -65.26 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.429 -176.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.545 ' CZ ' ' CZ ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -58.19 53.31 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.264 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.7 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 165.92 -35.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.413 -0.915 . . . . 0.0 113.46 178.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.7 ' HA ' ' CZ ' ' A' ' 5' ' ' ARG . 1.2 p 25.62 72.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.85 0.833 . . . . 0.0 111.325 -176.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.626 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -171.96 21.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.499 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.658 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 48.4 t80 -165.82 174.39 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.584 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.3 ptt85 -156.0 69.99 0.68 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.514 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.658 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . -155.13 -22.35 0.04 OUTLIER Glycine 0 CA--C 1.527 0.782 0 C-N-CA 120.404 -0.903 . . . . 0.0 114.384 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.799 ' HB ' ' NE1' ' A' ' 2' ' ' TRP . 5.4 mt -48.16 -43.31 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.047 0.924 . . . . 0.0 110.127 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 47.44 26.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.748 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CZ ' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -101.4 29.64 4.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.3 0.571 . . . . 0.0 110.829 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -32.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -27.65 0.33 Allowed 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -41.92 -31.88 0.38 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.575 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.818 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 1' ' ' LYS . 1.6 mmmp? . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.694 0.283 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.564 ' HB3' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 -149.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.595 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.647 ' CD2' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -134.71 -123.99 0.16 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.688 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -32.9 -31.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -176.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.688 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -114.9 -28.3 7.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.993 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.564 ' HA ' ' HB3' ' A' ' 2' ' ' TRP . 1.1 p 35.71 68.02 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.141 0.496 . . . . 0.0 111.559 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.534 ' CZ ' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -133.37 9.04 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.054 -178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 40.1 t80 -131.62 166.63 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.502 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.647 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -125.19 114.83 19.52 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.419 ' O ' ' HE1' ' A' ' 8' ' ' TYR . . . 61.82 91.68 0.02 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.335 -0.848 . . . . 0.0 115.163 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.622 ' CG1' ' CD1' ' A' ' 8' ' ' TYR . 4.2 mt -112.06 -33.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.255 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.2 t80 63.76 18.92 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.58 -70.72 0.39 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -98.62 27.54 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -23.19 17.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -47.33 -36.16 9.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.183 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' N ' ' CD ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.73 ' HB3' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.642 0.258 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.931 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 33.22 95.94 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.875 0.87 . . . . 0.0 112.046 -178.136 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.931 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 88.13 -161.54 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 177.115 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' CD2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -14.5 -62.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.286 -1.324 . . . . 0.0 113.364 -179.297 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.477 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 4.2 mmp_? -61.9 -59.83 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.153 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 1' ' ' LYS . 1.9 p 37.6 73.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.321 0.582 . . . . 0.0 111.149 178.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -167.64 28.46 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.092 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.642 ' CD1' ' HD3' ' A' ' 9' ' ' ARG . 5.2 t80 -145.47 -127.21 0.07 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.68 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.642 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 174.42 35.26 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.103 0.411 . . . . 0.0 110.867 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.13 -104.35 0.3 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.961 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.73 HD13 ' HB3' ' A' ' 1' ' ' LYS . 1.4 mt 69.87 -49.57 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 122.798 0.439 . . . . 0.0 110.913 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.463 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.4 OUTLIER 76.16 34.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 12.8 p90 -68.48 -54.13 18.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.145 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.523 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 44.8 ptt85 -104.57 29.67 5.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.572 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 6.1 mmt180 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 48.2 p90 41.58 51.1 3.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.797 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.834 179.788 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 111.483 0.179 . . . . 0.0 111.483 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.793 ' CE2' ' HE1' ' A' ' 3' ' ' TYR . 1.7 t90 -37.88 95.68 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 123.87 1.795 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.793 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -34.62 -121.2 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 110.084 -3.235 . . . . 0.0 115.177 -178.369 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.688 ' CD2' ' CH2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.63 75.69 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 149.04 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.595 177.586 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 2.0 p 36.96 69.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.981 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CD2' ' HB2' ' A' ' 5' ' ' ARG . 1.2 p90 -125.85 -13.47 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.362 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.684 ' CD1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -113.56 -81.32 0.6 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 121.295 -0.162 . . . . 0.0 111.359 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.684 ' HB2' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 178.3 -38.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.982 -178.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.491 ' C ' ' CE2' ' A' ' 8' ' ' TYR . . . 163.08 89.8 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.447 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.68 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 1.9 mp -38.62 -81.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.381 0.673 . . . . 0.0 111.81 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 177.74 35.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.554 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -55.49 -41.08 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.54 15.76 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.477 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -124.75 27.57 6.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.419 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.72 171.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.801 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 12.7 mttp . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.801 ' CE3' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -24.94 -37.58 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -176.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.71 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -172.79 -90.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -176.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 32.2 p90 -41.32 -20.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.497 ' CB ' ' CE1' ' A' ' 7' ' ' TYR . 1.4 mmp_? -107.48 -37.61 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.47 0.577 . . . . 0.0 111.743 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER 39.5 68.11 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 121.832 0.825 . . . . 0.0 111.839 178.081 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -156.15 22.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.546 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.558 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 85.3 t80 -166.38 179.54 5.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.944 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.75 112.85 11.71 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 54.76 88.46 0.01 OUTLIER Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.634 -1.166 . . . . 0.0 114.836 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.676 HD11 ' HD3' ' A' ' 1' ' ' LYS . 3.1 mp -74.26 -40.81 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 12' ' ' TYR . 3.1 t80 63.33 67.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.637 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 11.5 p90 -93.59 -46.39 7.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.753 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -136.94 50.48 2.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 111.357 -179.494 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.68 37.31 3.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -85.42 53.84 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.259 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.978 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.464 ' N ' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.516 0.198 . . . . 0.0 110.739 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.623 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -50.88 -81.34 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.452 -179.323 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.623 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -127.18 -124.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -178.385 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.552 ' C ' ' HG2' ' A' ' 5' ' ' ARG . 2.6 p90 -45.97 144.11 1.97 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.714 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.552 ' HG2' ' C ' ' A' ' 4' ' ' PHE . 0.8 OUTLIER 84.33 -48.83 0.11 Allowed 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.498 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.601 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.02 67.47 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 122.135 0.969 . . . . 0.0 110.967 178.208 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.417 ' C ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.2 16.99 1.9 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.107 -178.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.817 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -142.43 -118.29 0.1 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.133 -178.005 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.817 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 ppt_? 151.04 -67.78 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.759 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.592 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -64.99 28.57 0.11 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.096 -0.574 . . . . 0.0 114.289 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.766 ' CG1' ' CD2' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -78.08 -44.03 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 117.677 0.738 . . . . 0.0 111.251 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CD2' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 67.52 12.96 9.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.459 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER 34.7 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.156 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -101.56 -78.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER 32.36 -89.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.034 0.534 . . . . 0.0 112.391 179.44 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.2 p90 38.06 34.25 0.06 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.923 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.11 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.658 ' CE2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.81 -84.39 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.345 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.653 ' CE1' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -129.41 -123.29 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.529 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.653 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -7.42 -72.13 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.3 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -76.34 -34.92 58.97 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.268 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' TYR . 1.4 p 35.73 68.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.214 0.531 . . . . 0.0 110.767 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -143.66 -43.6 0.28 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.843 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.539 ' HE1' ' H ' ' A' ' 11' ' ' ILE . 15.2 t80 -106.18 154.82 20.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.811 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 102.36 10.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.12 -95.59 0.14 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.658 ' CD1' ' CE2' ' A' ' 2' ' ' TRP . 4.6 mt 63.97 -45.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.474 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 72.79 45.3 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 14' ' ' ARG . 10.4 p90 -77.94 -51.15 10.85 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.737 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -126.97 -23.42 3.64 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 4.3 ptp180 -54.54 -19.99 6.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 14' ' ' ARG . 27.1 p90 -45.14 135.04 5.83 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 111.508 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.806 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.641 ' CA ' ' HB ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.719 0.295 . . . . 0.0 111.463 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.628 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.35 -60.51 3.69 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.747 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -154.51 -113.79 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -174.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.553 ' CE1' ' NE ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -45.69 -7.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -175.22 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.583 ' CZ ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -156.95 34.65 0.3 Allowed 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.612 -179.206 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.641 ' HB ' ' CA ' ' A' ' 1' ' ' LYS . 2.8 m -56.61 120.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 113.492 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -147.89 16.57 1.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.064 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.694 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 5.7 t80 -142.15 -93.48 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.694 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 159.15 36.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -179.785 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' N ' ' CE2' ' A' ' 8' ' ' TYR . . . 162.88 -92.68 0.11 Allowed Glycine 0 C--N 1.335 0.518 0 C-N-CA 119.712 -1.232 . . . . 0.0 113.391 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.628 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER 70.86 -63.94 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.237 0.615 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 55.45 29.66 13.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.688 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.478 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -76.91 -36.72 56.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.153 -179.227 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.431 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 11.8 ptm180 -136.68 21.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -62.92 1.36 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 57.22 -158.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.054 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 8' ' ' TYR . 4.0 tttm . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.227 0.084 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.853 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -102.69 -102.44 0.28 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -179.592 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.728 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -91.57 -98.02 0.12 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 117.122 2.268 . . . . 0.0 117.122 -175.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CE2' ' CG ' ' A' ' 5' ' ' ARG . 8.4 p90 -55.35 -71.24 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.564 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -75.63 -76.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.321 0.509 . . . . 0.0 110.14 -178.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.681 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 50.34 27.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-O 122.007 0.908 . . . . 0.0 110.725 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.503 ' OH ' ' CZ ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -42.67 -45.45 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.636 178.479 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.633 ' O ' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -124.03 -152.73 0.52 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.533 178.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.58 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -127.77 -31.0 2.47 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -177.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.509 ' HA3' ' CE2' ' A' ' 8' ' ' TYR . . . -41.49 -20.78 0.05 OUTLIER Glycine 0 N--CA 1.466 0.64 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.66 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.853 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -22.51 145.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.745 ' CG ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -84.31 -28.41 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.931 -1.486 . . . . 0.0 107.024 176.465 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.639 ' HD1' ' CG2' ' A' ' 11' ' ' ILE . 10.3 p90 52.78 -70.61 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 113.852 -1.522 . . . . 0.0 114.225 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.536 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -105.13 -80.38 0.55 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.005 0.366 . . . . 0.0 111.846 -178.776 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.745 ' HG2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 25.51 -124.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.285 0.634 . . . . 0.0 112.491 179.123 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.695 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 71.25 -70.71 0.15 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.844 0.354 . . . . 0.0 111.031 179.212 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.724 ' CE2' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.22 -81.28 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.187 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.641 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -130.74 -179.12 5.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CE2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 p90 23.77 -65.6 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.614 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -73.34 -41.84 62.98 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 119.115 0.871 . . . . 0.0 111.072 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 35.92 69.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.488 178.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.76 -1.78 4.22 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -178.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.688 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 3.2 t80 -107.72 -84.35 0.53 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 154.84 81.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.7 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.83 84.25 0.02 OUTLIER Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.373 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.724 HD11 ' CE2' ' A' ' 2' ' ' TRP . 3.3 mp -60.13 -18.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.536 0.208 . . . . 0.0 111.467 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 68.5 35.52 3.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 9.9 p90 -78.16 -47.38 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -108.01 -21.64 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -49.14 -64.09 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.718 0.294 . . . . 0.0 111.059 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 63.19 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.651 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.638 0.256 . . . . 0.0 111.076 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CD2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 94.33 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.244 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -151.29 -76.56 0.14 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.09 -179.128 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CD2' ' HG2' ' A' ' 5' ' ' ARG . 40.9 p90 -47.46 -24.63 0.87 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HB2' ' HB3' ' A' ' 1' ' ' LYS . 1.1 mmp_? -98.85 -41.3 7.69 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.642 0.258 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 42.25 28.65 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-O 121.356 0.598 . . . . 0.0 111.952 178.135 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.651 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 0.6 OUTLIER -117.56 27.87 8.8 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.807 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -144.89 -80.94 0.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 -179.542 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.623 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.13 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.0 110.001 -178.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.64 87.81 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.082 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.706 ' O ' ' HD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.49 -39.5 79.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.549 -0.826 . . . . 0.0 111.781 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.706 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 31.16 35.78 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.762 0.791 . . . . 0.0 112.181 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ILE . 28.4 p90 -40.72 -45.18 2.35 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.111 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 4.5 ttt-85 -66.84 -61.9 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.88 0.371 . . . . 0.0 110.516 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.608 ' CG ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.67 79.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.452 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -95.18 67.45 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.043 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.627 ' CE2' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -81.07 -114.14 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.589 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.627 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -163.94 -76.77 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.221 0.534 . . . . 0.0 111.861 -179.413 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -49.78 -24.2 2.25 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.165 -178.354 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.647 ' HD2' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -131.79 -39.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.718 0.294 . . . . 0.0 111.305 -179.05 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 5.3 p 41.1 57.38 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.974 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.647 ' CZ ' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -125.11 9.81 8.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.467 179.477 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.708 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -135.85 -108.1 0.21 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.45 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 ptm180 150.04 -71.33 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.524 0.602 . . . . 0.0 112.473 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -38.33 -17.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.606 HG21 ' NE1' ' A' ' 2' ' ' TRP . 11.1 mt -35.88 158.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.243 1.021 . . . . 0.0 111.72 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.646 ' CZ ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-30 -85.35 43.18 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CE1' ' HB2' ' A' ' 14' ' ' ARG . 19.6 p90 -83.4 -42.92 16.46 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.964 0.412 . . . . 0.0 110.429 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.465 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.4 mtp180 -102.03 -54.18 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.504 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.646 ' HD2' ' CZ ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -44.91 -38.27 4.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.068 0.461 . . . . 0.0 111.214 -179.685 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 4.8 p90 -27.36 -46.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.648 -178.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.606 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 11' ' ' ILE . 22.0 mmtt . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.54 ' CZ2' ' CZ ' ' A' ' 3' ' ' TYR . 4.4 p-90 -23.65 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.002 0.521 . . . . 0.0 112.073 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.714 ' H ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.83 -130.24 0.25 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.624 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -20.78 -43.48 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -176.426 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.591 ' HB2' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -95.23 -36.98 11.23 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.743 1.156 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.635 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER 40.71 29.58 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.605 0.717 . . . . 0.0 111.601 177.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -78.07 -20.11 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 9' ' ' ARG . 22.5 t80 -133.73 -70.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.258 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER 92.35 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.74 0.816 . . . . 0.0 111.864 -179.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . 94.43 -5.75 70.91 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.882 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 1' ' ' LYS . 3.8 mp -0.34 -59.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.801 0.84 . . . . 0.0 113.094 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.667 ' N ' ' O ' ' A' ' 10' ' ' GLY . 4.6 t80 110.76 -0.58 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.352 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 5.8 p90 -79.53 -45.07 19.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -96.43 -14.62 22.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.869 178.258 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.559 ' HB3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.53 87.4 6.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.607 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -100.69 144.17 29.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 0.0 111.04 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.99 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 1.4 mptp? . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.67 0.271 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.604 ' CB ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -66.62 -105.27 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.802 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -164.72 -145.32 0.08 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.659 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -0.13 61.71 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -177.806 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.802 ' HG3' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 157.67 -50.98 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.711 0.767 . . . . 0.0 109.931 177.328 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 1.7 p 40.05 56.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.123 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -112.0 -10.98 13.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.17 178.195 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.701 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -138.72 146.67 41.8 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.257 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.701 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -33.8 -35.26 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 122.802 0.441 . . . . 0.0 112.138 178.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 11' ' ' ILE . . . -160.04 -108.29 0.24 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.012 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' CB ' ' A' ' 2' ' ' TRP . 0.6 OUTLIER 179.01 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 77.94 33.06 0.36 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.131 -177.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -73.27 -49.31 28.38 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.248 -179.672 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -101.81 20.37 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.182 179.866 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -102.57 -71.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.227 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 51.01 99.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 1' ' ' LYS . 3.5 ttmm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.23 0.062 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.782 ' CZ2' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -84.52 17.17 2.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.568 -0.853 . . . . 0.0 113.089 -179.372 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.782 ' HE1' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.02 -161.55 0.0 OUTLIER 'General case' 0 C--N 1.362 1.128 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 175.555 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' ' CH2' ' A' ' 2' ' ' TRP . 10.9 p90 7.76 -74.99 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -175.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.608 ' HD2' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -70.57 -45.35 65.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.799 1.181 . . . . 0.0 111.622 -178.349 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.608 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 1.5 p 45.07 18.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 179.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.608 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 1.2 p90 -76.49 -17.31 59.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 178.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 9' ' ' ARG . 26.7 t80 -125.44 169.01 12.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.13 -179.001 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -65.54 -150.36 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.687 179.547 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -79.7 54.98 4.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.729 -0.748 . . . . 0.0 114.584 -177.777 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 3.0 mp 21.53 -81.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 178.35 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' A' ' 10' ' ' GLY . 1.3 t80 170.38 -1.69 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.358 -179.043 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 14' ' ' ARG . 11.1 p90 -44.11 -46.26 8.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -114.92 28.33 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.149 -179.897 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.5 -85.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 44.79 30.97 0.6 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.796 0.332 . . . . 0.0 111.601 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.023 179.891 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.694 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 4.8 tptm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.744 ' CZ2' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.71 -55.77 17.63 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.253 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.732 ' CE1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -138.98 -88.28 0.22 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 116.968 2.21 . . . . 0.0 116.968 -175.884 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.614 ' C ' ' HG3' ' A' ' 5' ' ' ARG . 47.4 p90 -50.29 19.42 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -174.248 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.721 HH22 ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -168.93 -37.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.521 1.964 . . . . 0.0 113.372 178.513 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.718 ' H ' ' NH2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 37.01 84.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.659 0.742 . . . . 0.0 110.461 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.699 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 8.7 p90 -145.43 -0.55 0.85 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.748 -1.115 . . . . 0.0 112.349 -177.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.622 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER -137.94 -78.29 0.37 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.665 -177.076 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.694 ' HA ' ' HB3' ' A' ' 1' ' ' LYS . 3.0 ptt180 111.92 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 177.069 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.622 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -58.03 0.63 0.32 Allowed Glycine 0 CA--C 1.53 1.025 0 C-N-CA 119.277 -1.44 . . . . 0.0 113.49 -179.102 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.744 HD11 ' CZ2' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -59.04 155.07 2.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.134 0 CA-C-N 117.317 0.558 . . . . 0.0 111.125 -179.654 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.544 ' N ' HG23 ' A' ' 11' ' ' ILE . 6.8 t80 -93.57 50.52 1.48 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HB3' ' HB3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -53.29 -117.62 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.629 -177.826 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -25.27 0.68 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.087 179.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 1.9 mtt85 -44.08 -37.62 3.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.37 131.47 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.513 ' HB2' ' HE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.718 ' NE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -43.65 -44.99 6.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.05 0.841 . . . . 0.0 112.4 -179.532 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.718 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -176.37 -157.54 0.05 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 178.639 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -38.87 148.57 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -178.916 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.547 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 1.9 mmp_? 96.89 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 24.87 88.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.92 177.118 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.25 13.12 0.57 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.639 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.739 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -128.68 -107.06 0.3 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.437 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 55.9 mtt180 -157.68 -42.87 0.07 Allowed 'General case' 0 C--N 1.343 0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.273 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.14 104.5 0.18 Allowed Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.193 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.679 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 3.1 mp -90.74 -36.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.166 -0.517 . . . . 0.0 111.278 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 72.47 -58.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.693 -178.122 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 12' ' ' TYR . 40.4 p90 52.44 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 112.796 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -153.86 37.7 0.46 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.519 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 2.3 mtm105 -80.18 -47.46 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.595 179.287 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -45.28 -70.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.207 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.883 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.82 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.312 0.101 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.605 ' CZ3' ' CG ' ' A' ' 3' ' ' TYR . 29.9 p-90 -100.0 -21.73 15.52 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.623 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.63 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.54 -102.2 0.28 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.676 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.65 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -40.51 -27.93 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.73 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.65 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -102.85 -44.79 5.17 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.835 179.775 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 2.1 p 39.48 71.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.197 0.522 . . . . 0.0 111.382 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.753 ' CE1' ' HG3' ' A' ' 1' ' ' LYS . 0.3 OUTLIER -157.16 14.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.016 -178.855 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -171.57 -35.6 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.582 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.804 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.2 ptt85 52.45 -100.04 0.09 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -177.415 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' ARG . . . 4.43 46.54 0.0 OUTLIER Glycine 0 N--CA 1.467 0.761 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.82 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 18.0 mt -97.93 -64.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.805 0.812 . . . . 0.0 110.516 -179.537 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 169.27 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.184 -178.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.55 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -38.49 -48.82 1.44 Allowed 'General case' 0 C--N 1.341 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.923 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 8.5 tmm_? -70.04 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.649 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -79.59 60.17 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 4.0 p90 -94.12 121.69 35.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.63 0.252 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 1.089 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -96.48 -119.22 0.12 Allowed 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.496 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 1.089 ' HD1' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.5 -76.3 0.12 Allowed 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.234 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.834 ' CE1' ' CE3' ' A' ' 2' ' ' TRP . 1.1 p90 -57.98 -26.48 62.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.673 177.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.839 ' NE ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -100.03 -43.98 6.17 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.171 -178.241 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.559 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 9.4 p 7.82 52.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.839 ' CD1' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -122.59 -7.06 8.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.276 0.56 . . . . 0.0 109.589 177.536 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.601 ' HE2' ' H ' ' A' ' 11' ' ' ILE . 3.5 t80 -145.39 171.06 15.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.278 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -120.24 102.58 8.59 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.749 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 -89.67 0.11 Allowed Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.787 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.82 HD13 ' CD1' ' A' ' 2' ' ' TRP . 4.4 mt 45.05 -102.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 122.607 0.363 . . . . 0.0 111.289 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 172.76 31.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.71 0.29 . . . . 0.0 110.567 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.637 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 40.6 p90 -64.52 -48.87 73.53 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.057 0.456 . . . . 0.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.4 mmt-85 -111.75 36.78 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 23.3 mmt-85 -130.58 30.25 4.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.55 77.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.688 ' HB2' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.986 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -89.79 -108.22 0.09 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 118.299 -1.36 . . . . 0.0 113.145 -179.839 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.674 ' CD1' ' CE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -99.5 -97.99 0.23 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.472 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD1' ' CZ3' ' A' ' 2' ' ' TRP . 1.2 p90 -63.8 55.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.213 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.087 ' NH2' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -162.42 -70.33 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.218 -0.301 . . . . 0.0 111.494 177.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 43.76 4.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -179.733 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.718 ' CE1' ' NH2' ' A' ' 5' ' ' ARG . 2.2 p90 -84.15 3.22 35.95 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.823 -0.548 . . . . 0.0 110.613 178.584 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 1.087 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -165.39 159.22 16.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 123.328 0.651 . . . . 0.0 110.068 179.318 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 3.0 ptt-85 -125.9 114.78 18.98 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.487 178.614 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.569 ' HA3' ' CZ ' ' A' ' 8' ' ' TYR . . . 155.45 -12.94 0.42 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.463 -1.351 . . . . 0.0 113.529 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.986 HD13 ' CE2' ' A' ' 2' ' ' TRP . 49.6 mt -36.74 -52.84 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 117.266 0.533 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 12' ' ' TYR . 78.8 t80 68.04 42.65 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.323 179.431 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.496 ' CD1' ' HD1' ' A' ' 2' ' ' TRP . 21.3 p90 -45.61 -52.23 10.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.767 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 16' ' ' TYR . 9.3 mtt180 -131.96 -77.63 0.51 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.455 179.31 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 mmt85 44.76 -83.57 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.289 0.566 . . . . 0.0 112.079 178.525 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.0 p90 40.73 32.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.441 -179.086 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.516 ' CB ' HG21 ' A' ' 6' ' ' VAL . 3.9 mtpp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.276 0.084 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.609 ' C ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.95 -95.71 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.562 -179.273 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.581 ' CD2' ' NE1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -115.34 -120.91 0.3 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -176.418 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.565 ' CE1' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -60.44 -70.93 0.15 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.778 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' C ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -83.98 -66.11 0.93 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -178.961 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.539 ' C ' ' CG ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER 59.07 -51.59 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.439 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' A' ' 6' ' ' VAL . 0.9 OUTLIER 47.02 8.16 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.905 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.613 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -162.36 139.28 8.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.161 0.505 . . . . 0.0 111.57 -178.874 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.617 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -81.83 88.08 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.995 178.824 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' C ' ' CZ ' ' A' ' 8' ' ' TYR . . . 128.6 18.11 1.83 Allowed Glycine 0 C--N 1.337 0.632 0 C-N-CA 119.817 -1.182 . . . . 0.0 114.898 179.016 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.613 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -24.31 -65.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 117.937 0.868 . . . . 0.0 112.341 -178.441 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 12' ' ' TYR . 53.2 t80 71.57 9.32 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.018 -179.404 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -74.49 -49.88 20.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.212 0.529 . . . . 0.0 110.37 179.695 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.21 -18.68 63.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.843 -179.638 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -58.14 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.511 179.551 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 14' ' ' ARG . 53.0 p90 43.55 38.97 2.07 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.545 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 3' ' ' TYR . 13.8 mtmm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.782 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -12.09 79.29 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.471 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER 13.93 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 112.39 -2.186 . . . . 0.0 115.531 176.348 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CZ ' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.84 57.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.092 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 171.05 -46.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.584 0.23 . . . . 0.0 111.114 178.332 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 1.7 p 30.68 56.21 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.813 0.816 . . . . 0.0 111.54 -178.891 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.515 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -151.75 23.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.233 179.558 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CD2' HG12 ' A' ' 11' ' ' ILE . 48.4 t80 -150.4 176.03 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.29 -177.798 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 11.9 ptm180 -124.63 118.51 26.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.739 0.78 . . . . 0.0 112.969 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.437 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 42.22 99.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 114.39 -1.277 . . . . 0.0 114.344 178.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.711 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 9.1 mt -86.87 -66.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.101 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.8 t80 85.28 30.83 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 -179.318 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -60.85 -53.88 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -179.653 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -81.35 -46.63 14.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.733 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' NH1' ' CH2' ' A' ' 2' ' ' TRP . 4.1 mtm-85 -50.97 109.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -128.98 147.11 50.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.009 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.466 0.174 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.685 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -83.0 62.25 6.45 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.211 0.529 . . . . 0.0 111.045 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.694 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER 28.76 -167.76 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 178.34 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 11.38 36.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -178.733 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.736 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -152.32 -63.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.796 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.603 ' CG1' ' C ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 56.21 -42.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 175.665 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -43.77 -31.14 0.75 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.183 0.516 . . . . 0.0 112.149 -178.916 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.965 ' HD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -94.89 -16.65 22.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.148 -178.537 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.965 ' N ' ' HD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 71.45 -52.78 0.69 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -175.288 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -138.08 80.33 0.29 Allowed Glycine 0 C--N 1.334 0.432 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 178.558 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.815 HG12 ' CZ ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -5.18 -86.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.354 0.662 . . . . 0.0 112.655 -178.195 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.593 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 58.4 t80 134.33 -11.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.815 0.846 . . . . 0.0 109.802 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -58.96 -44.58 91.52 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.472 -179.473 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 12.3 mtm180 -64.89 -59.64 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.821 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -54.83 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.699 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 47.4 t80 59.6 41.44 18.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.57 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' CA ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 8' ' ' TYR . 3.5 mtmp? . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 110.834 -0.061 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.772 ' CZ3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -51.64 -44.95 63.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 118.864 -1.134 . . . . 0.0 112.998 -177.511 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.747 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -173.86 -86.72 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.524 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -64.16 62.25 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -177.234 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.771 ' HD3' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 168.87 -55.67 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.064 0.459 . . . . 0.0 112.067 177.736 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.771 ' H ' ' HD3' ' A' ' 5' ' ' ARG . 1.7 p 37.11 71.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.734 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 5' ' ' ARG . 2.4 p90 -144.52 2.25 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 178.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -164.77 141.63 6.09 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 122.823 0.449 . . . . 0.0 111.047 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -104.75 124.84 50.1 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.598 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.532 ' C ' ' OH ' ' A' ' 8' ' ' TYR . . . 135.82 -3.69 3.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.801 -179.538 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.648 HD13 ' CD2' ' A' ' 2' ' ' TRP . 5.4 mt -46.53 172.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.803 0.811 . . . . 0.0 113.088 -177.424 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.549 ' H ' ' CG2' ' A' ' 11' ' ' ILE . 47.1 t80 -94.55 77.9 3.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.274 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.492 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -93.96 -91.21 0.19 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.131 -179.313 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmt-85 -48.76 -26.32 2.29 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.037 0.446 . . . . 0.0 110.654 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . 7.5 mmm-85 -54.99 -25.38 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 179.548 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -25.15 6.38 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.734 -179.568 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.247 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.895 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.729 0.3 . . . . 5.9900000000000002 110.763 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.851 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -57.48 -80.1 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 114.143 1.164 . . . . 4.54 114.143 -178.572 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.794 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -121.39 -142.05 0.34 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.201 1.556 . . . . 3.1600000000000001 115.201 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.697 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -24.83 -34.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.288 1.958 . . . . 2.7799999999999998 116.288 -175.631 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.697 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.3 -42.6 11.49 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 119.381 0.991 . . . . 5.2599999999999998 110.596 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.895 HG23 ' HB2' ' A' ' 1' ' ' LYS . 0.3 OUTLIER 35.14 70.24 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.157 0.503 . . . . 2.4399999999999999 110.848 178.377 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.28 14.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.836 0.68 . . . . 2.8399999999999999 112.836 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 8.3 t80 -139.54 -89.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.982 0.734 . . . . 2.46 112.982 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.571 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 103.54 116.41 0.01 OUTLIER 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.26 1.024 . . . . 4.7699999999999996 109.159 -177.646 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.27 -13.98 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.083 -1.056 . . . . 2.2999999999999998 113.426 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.851 HD13 ' CD1' ' A' ' 2' ' ' TRP . 3.3 mt -47.78 -31.33 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.817 0.309 . . . . 1.8799999999999999 111.673 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 12.1 t80 60.64 35.24 19.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 4.29 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 1.8 p90 -78.76 -39.38 36.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 5.7199999999999998 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 6.3 mmt180 -108.98 29.5 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 7.0800000000000001 110.881 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.9 mmt180 -115.7 30.65 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 5.3200000000000003 110.844 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 6.0499999999999998 110.843 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.606 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -82.63 -105.66 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.645 ' H ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.77 -111.77 0.12 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.258 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.569 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -66.52 55.23 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.592 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HD2' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 175.38 36.92 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.999 177.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -69.98 70.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.77 0.795 . . . . 0.0 109.795 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -145.17 7.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.725 -178.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 2.5 t80 -135.42 -76.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 96.9 128.44 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.993 0.917 . . . . 0.0 110.802 -179.027 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.33 9.77 24.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.729 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.605 HD11 ' HD2' ' A' ' 5' ' ' ARG . 1.6 mp -46.56 -31.96 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 120.945 0.402 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 70.54 20.16 5.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.334 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD2' ' CE2' ' A' ' 2' ' ' TRP . 21.0 p90 -59.85 -52.29 66.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.102 0.477 . . . . 0.0 110.253 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.529 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.0 mmm180 -115.15 -83.31 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.915 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 24.44 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.17 0.588 . . . . 0.0 112.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.333 -0.134 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.787 ' HB3' HG23 ' A' ' 6' ' ' VAL . 5.8 mmtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.4 0.143 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.639 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -53.41 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.674 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.613 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -122.55 -127.12 0.26 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.604 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 14.8 p90 -38.88 -41.97 0.8 Allowed 'General case' 0 C--N 1.341 0.214 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.647 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 1.2 mmp_? -69.86 -43.17 72.43 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.939 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.787 HG23 ' HB3' ' A' ' 1' ' ' LYS . 1.6 p 22.87 66.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.303 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -153.32 23.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.054 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.748 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -137.62 -94.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.507 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.748 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 3.1 mmt85 -160.38 -61.91 0.06 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 109.433 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -161.3 57.5 0.31 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.826 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.639 ' CG1' ' HB3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.24 -76.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 55.75 24.85 7.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.296 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 14' ' ' ARG . 35.0 p90 -55.93 -24.07 35.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.155 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 1.1 mtt-85 -103.81 -51.37 3.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.518 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.437 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -66.06 -62.85 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.157 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.307 179.498 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.924 ' CB ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CD1' HD13 ' A' ' 11' ' ' ILE . 42.8 p-90 69.69 -14.2 0.36 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.75 ' CD1' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -141.27 -79.39 0.26 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.857 -0.527 . . . . 0.0 110.904 178.251 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -65.07 64.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.609 179.557 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.674 ' HD2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 170.76 -46.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.718 -178.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 36.65 69.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 122.051 0.929 . . . . 0.0 110.698 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.674 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -152.01 13.45 0.6 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.25 -178.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.564 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 74.6 t80 -159.91 -173.02 3.87 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.356 -176.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -176.43 72.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.586 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.487 ' N ' ' CE2' ' A' ' 8' ' ' TYR . . . -153.58 -21.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.992 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.924 HD11 ' CB ' ' A' ' 1' ' ' LYS . 5.2 mt -35.4 -74.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.602 0.715 . . . . 0.0 112.041 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.484 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 168.05 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.622 -178.791 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -40.61 -37.76 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.654 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.543 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 5.4 ptm180 -65.96 -39.95 90.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.665 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.68 -12.5 61.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.716 0.293 . . . . 0.0 110.668 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.47 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.71 ' N ' HD12 ' A' ' 11' ' ' ILE . 16.2 tttp . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.829 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -117.31 20.36 13.68 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.685 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.08 -150.7 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.622 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -12.91 78.97 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -175.305 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.733 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 155.6 -51.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.603 175.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.806 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 34.73 66.72 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.403 1.096 . . . . 0.0 110.241 -178.288 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.58 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -149.74 11.84 0.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.854 -178.76 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 42.1 t80 -167.58 -179.83 4.54 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.017 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -151.66 -25.36 0.19 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.603 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -52.38 -4.49 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 120.872 -0.68 . . . . 0.0 114.661 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.829 HD13 ' CD2' ' A' ' 2' ' ' TRP . 76.9 mt -46.82 -54.91 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.429 1.114 . . . . 0.0 110.445 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 65.59 30.91 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.992 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.637 ' CD1' ' HB3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -60.41 -46.12 91.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.986 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -118.46 -19.29 8.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.441 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.477 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -45.16 -75.03 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.634 ' H3 ' HG23 ' A' ' 6' ' ' VAL . 9.1 mptt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.697 0.284 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.718 ' CD1' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -68.43 -103.26 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.662 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.683 ' CE1' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.79 -37.89 0.22 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.48 0.312 . . . . 0.0 111.642 -179.494 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.697 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -123.48 -31.79 3.46 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.809 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.697 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mmp_? -74.54 -60.44 2.27 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.5 p 39.91 29.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.956 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 1.3 p90 -134.39 34.28 3.26 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.695 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -161.74 -78.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.663 -178.799 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.861 ' HG3' ' H ' ' A' ' 10' ' ' GLY . 8.9 tpp180 115.22 -153.33 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.861 ' H ' ' HG3' ' A' ' 9' ' ' ARG . . . 31.76 7.3 0.0 OUTLIER Glycine 0 CA--C 1.536 1.394 0 N-CA-C 117.92 1.928 . . . . 0.0 117.92 177.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.754 ' N ' ' O ' ' A' ' 9' ' ' ARG . 89.4 mt -65.57 168.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.754 1.777 . . . . 0.0 111.059 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.704 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -47.27 -23.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.236 179.252 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.718 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 1.5 p90 -41.87 -47.84 4.3 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 109.696 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.4 tpt180 -79.69 -28.89 40.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.47 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HB2' ' HA ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -58.1 -31.98 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.342 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.655 -179.425 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.592 ' HB3' HG21 ' A' ' 6' ' ' VAL . 6.7 mmmt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 119.526 -0.273 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.972 ' CE3' ' N ' ' A' ' 3' ' ' TYR 0.284 0.0 OUTLIER -77.7 -102.41 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.58 -1.248 . . . . 0.0 110.853 -179.89 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.972 ' N ' ' CE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -98.42 -122.48 0.14 Allowed 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 179.389 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.656 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -62.53 -70.51 0.2 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -174.358 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.822 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -68.35 -70.11 0.28 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.304 0.573 . . . . 0.0 109.998 -176.76 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 63.39 -60.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.296 176.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.755 ' CD1' ' C ' ' A' ' 6' ' ' VAL . 1.8 p90 37.44 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.057 0.455 . . . . 0.0 111.522 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 1.6 t80 -163.74 -177.44 5.16 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.518 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 6.2 ptm180 -102.52 94.02 5.44 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.517 ' C ' ' HE1' ' A' ' 8' ' ' TYR . . . 51.73 84.54 0.02 OUTLIER Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.941 177.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.856 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.4 mp -59.88 -38.15 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.019 0.437 . . . . 0.0 110.631 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 6.1 t80 57.07 24.82 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.444 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.856 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -100.05 5.05 45.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.614 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 -63.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.101 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -52.42 24.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HA ' ' CE1' ' A' ' 12' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.168 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 7.7 mmtt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 110.822 -0.066 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 1.156 ' CD2' HD12 ' A' ' 11' ' ' ILE . 1.3 m-90 -48.49 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.658 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 164.21 -65.26 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.429 -176.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -58.19 53.31 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.264 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.724 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 165.92 -35.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.413 -0.915 . . . . 0.0 113.46 178.502 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.736 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.2 p 25.62 72.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.85 0.833 . . . . 0.0 111.325 -176.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.634 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -171.96 21.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.499 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.666 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 48.4 t80 -165.82 174.39 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.597 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.3 ptt85 -156.0 69.99 0.68 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.514 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.666 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . -155.13 -22.35 0.04 OUTLIER Glycine 0 CA--C 1.527 0.782 0 C-N-CA 120.404 -0.903 . . . . 0.0 114.384 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.156 HD12 ' CD2' ' A' ' 2' ' ' TRP . 5.4 mt -48.16 -43.31 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.047 0.924 . . . . 0.0 110.127 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 47.44 26.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.748 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.64 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -101.4 29.64 4.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.3 0.571 . . . . 0.0 110.829 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -32.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -43.67 -27.65 0.33 Allowed 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.529 0.157 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.575 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.59 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.6 mmmp? . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.694 0.283 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HB3' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 -149.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.595 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.647 ' CD2' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -134.71 -123.99 0.16 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.698 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -32.9 -31.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -176.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.698 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -114.9 -28.3 7.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.993 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.753 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.1 p 35.71 68.02 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.141 0.496 . . . . 0.0 111.559 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.534 ' CZ ' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -133.37 9.04 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.054 -178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 40.1 t80 -131.62 166.63 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.502 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.647 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -125.19 114.83 19.52 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.464 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' HE1' ' A' ' 8' ' ' TYR . . . 61.82 91.68 0.02 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.335 -0.848 . . . . 0.0 115.163 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.624 HG13 ' CD1' ' A' ' 8' ' ' TYR . 4.2 mt -112.06 -33.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.255 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.2 t80 63.76 18.92 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.58 -70.72 0.39 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -98.62 27.54 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -23.19 17.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.183 -179.845 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.784 ' HB3' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.642 0.258 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.931 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 33.22 95.94 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.875 0.87 . . . . 0.0 112.046 -178.136 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.931 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 88.13 -161.54 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 177.115 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' CD2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -14.5 -62.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.286 -1.324 . . . . 0.0 113.364 -179.297 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 4.2 mmp_? -61.9 -59.83 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.153 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.624 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.9 p 37.6 73.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.321 0.582 . . . . 0.0 111.149 178.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -167.64 28.46 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.092 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CD1' ' HD3' ' A' ' 9' ' ' ARG . 5.2 t80 -145.47 -127.21 0.07 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.68 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.67 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 174.42 35.26 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.103 0.411 . . . . 0.0 110.867 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -150.13 -104.35 0.3 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.961 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.784 HD12 ' HB3' ' A' ' 1' ' ' LYS . 1.4 mt 69.87 -49.57 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 122.798 0.439 . . . . 0.0 110.913 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.464 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.4 OUTLIER 76.16 34.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.618 ' CE1' ' HB2' ' A' ' 2' ' ' TRP . 12.8 p90 -68.48 -54.13 18.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.145 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.523 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 44.8 ptt85 -104.57 29.67 5.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.572 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 6.1 mmt180 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 48.2 p90 . . . . . 0 N--CA 1.463 0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.797 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 111.483 0.179 . . . . 0.0 111.483 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.783 ' CE2' ' HE1' ' A' ' 3' ' ' TYR . 1.7 t90 -37.88 95.68 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 123.87 1.795 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.783 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -34.62 -121.2 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 110.084 -3.235 . . . . 0.0 115.177 -178.369 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.688 ' CD2' ' CH2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.63 75.69 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 149.04 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.595 177.586 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.685 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.0 p 36.96 69.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.981 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 5' ' ' ARG . 1.2 p90 -125.85 -13.47 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.362 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.707 ' CD1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -113.56 -81.32 0.6 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 121.295 -0.162 . . . . 0.0 111.359 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.707 ' HB2' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 178.3 -38.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.982 -178.764 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.491 ' C ' ' CE2' ' A' ' 8' ' ' TYR . . . 163.08 89.8 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.447 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.697 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 1.9 mp -38.62 -81.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.381 0.673 . . . . 0.0 111.81 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.639 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 177.74 35.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.554 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -55.49 -41.08 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.54 15.76 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -124.75 27.57 6.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.419 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 1.034 ' CB ' HD11 ' A' ' 11' ' ' ILE . 12.7 mttp . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 1.05 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -24.94 -37.58 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -176.739 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.71 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -172.79 -90.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -176.513 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 32.2 p90 -41.32 -20.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 1.4 mmp_? -107.48 -37.61 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.47 0.577 . . . . 0.0 111.743 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 39.5 68.11 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 121.832 0.825 . . . . 0.0 111.839 178.081 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.603 ' H ' ' N ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -156.15 22.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.546 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' HB3' ' CG ' ' A' ' 1' ' ' LYS . 85.3 t80 -166.38 179.54 5.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.944 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.75 112.85 11.71 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 54.76 88.46 0.01 OUTLIER Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.634 -1.166 . . . . 0.0 114.836 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.05 HD13 ' CE2' ' A' ' 2' ' ' TRP . 3.1 mp -74.26 -40.81 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 12' ' ' TYR . 3.1 t80 63.33 67.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.637 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 11.5 p90 -93.59 -46.39 7.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.753 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -136.94 50.48 2.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 111.357 -179.494 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.68 37.31 3.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.259 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.759 ' HB3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.516 0.198 . . . . 0.0 110.739 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 1.145 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -50.88 -81.34 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.452 -179.323 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.623 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -127.18 -124.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -178.385 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.55 ' C ' ' HG2' ' A' ' 5' ' ' ARG . 2.6 p90 -45.97 144.11 1.97 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.714 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.55 ' HG2' ' C ' ' A' ' 4' ' ' PHE . 0.8 OUTLIER 84.33 -48.83 0.11 Allowed 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.498 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.807 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.02 67.47 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 122.135 0.969 . . . . 0.0 110.967 178.208 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.417 ' C ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.2 16.99 1.9 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.107 -178.71 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.817 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -142.43 -118.29 0.1 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.133 -178.005 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.817 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 ppt_? 151.04 -67.78 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.759 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.592 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -64.99 28.57 0.11 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.096 -0.574 . . . . 0.0 114.289 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.145 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.08 -44.03 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 117.677 0.738 . . . . 0.0 111.251 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CD2' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 67.52 12.96 9.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.459 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER 34.7 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.156 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -101.56 -78.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.468 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER 32.36 -89.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.034 0.534 . . . . 0.0 112.391 179.44 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.2 p90 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.923 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.946 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.81 -84.39 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.345 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.653 ' CE1' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -129.41 -123.29 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.529 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.653 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -7.42 -72.13 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.3 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -76.34 -34.92 58.97 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.268 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.68 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.4 p 35.73 68.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.214 0.531 . . . . 0.0 110.767 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 1.9 p90 -143.66 -43.6 0.28 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.843 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 1' ' ' LYS . 15.2 t80 -106.18 154.82 20.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.811 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -112.08 102.36 10.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.21 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.12 -95.59 0.14 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 2' ' ' TRP . 4.6 mt 63.97 -45.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 72.79 45.3 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 14' ' ' ARG . 10.4 p90 -77.94 -51.15 10.85 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.737 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -126.97 -23.42 3.64 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 4.3 ptp180 -54.54 -19.99 6.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CE2' ' HA ' ' A' ' 14' ' ' ARG . 27.1 p90 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 111.508 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.643 ' CA ' ' HB ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.719 0.295 . . . . 0.0 111.463 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 1.0 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.35 -60.51 3.69 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 1.047 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -154.51 -113.79 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -174.816 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.553 ' CE1' ' NE ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -45.69 -7.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -175.22 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.583 ' CZ ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -156.95 34.65 0.3 Allowed 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.612 -179.206 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 1.047 HG13 ' O ' ' A' ' 3' ' ' TYR . 2.8 m -56.61 120.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 113.492 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -147.89 16.57 1.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.064 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.694 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 5.7 t80 -142.15 -93.48 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.694 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 159.15 36.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -179.785 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.607 ' O ' HD12 ' A' ' 11' ' ' ILE . . . 162.88 -92.68 0.11 Allowed Glycine 0 C--N 1.335 0.518 0 C-N-CA 119.712 -1.232 . . . . 0.0 113.391 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.0 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER 70.86 -63.94 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.237 0.615 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 55.45 29.66 13.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.688 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.848 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -76.91 -36.72 56.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.153 -179.227 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 11.8 ptm180 -136.68 21.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -62.92 1.36 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.642 ' HB2' ' O ' ' A' ' 8' ' ' TYR . 4.0 tttm . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.227 0.084 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.728 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.69 -102.44 0.28 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -179.592 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.728 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -91.57 -98.02 0.12 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 117.122 2.268 . . . . 0.0 117.122 -175.38 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CE2' ' CG ' ' A' ' 5' ' ' ARG . 8.4 p90 -55.35 -71.24 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.637 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -75.63 -76.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.321 0.509 . . . . 0.0 110.14 -178.587 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.681 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 50.34 27.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-O 122.007 0.908 . . . . 0.0 110.725 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HD1' ' H ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -42.67 -45.45 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.636 178.479 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.642 ' O ' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -124.03 -152.73 0.52 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.533 178.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.58 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -127.77 -31.0 2.47 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -177.693 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 8' ' ' TYR . . . -41.49 -20.78 0.05 OUTLIER Glycine 0 N--CA 1.466 0.64 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.66 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.633 ' CG2' ' HD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -22.51 145.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.763 ' CG ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -84.31 -28.41 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.931 -1.486 . . . . 0.0 107.024 176.465 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.633 ' HD1' ' CG2' ' A' ' 11' ' ' ILE . 10.3 p90 52.78 -70.61 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 113.852 -1.522 . . . . 0.0 114.225 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -105.13 -80.38 0.55 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.005 0.366 . . . . 0.0 111.846 -178.776 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.763 ' HG2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 25.51 -124.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.285 0.634 . . . . 0.0 112.491 179.123 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.721 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.844 0.354 . . . . 0.0 111.031 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.791 ' HG3' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.721 ' NE1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.22 -81.28 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.187 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.641 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -130.74 -179.12 5.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 p90 23.77 -65.6 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.634 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -73.34 -41.84 62.98 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 119.115 0.871 . . . . 0.0 111.072 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.791 HG23 ' HG3' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 35.92 69.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.488 178.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.76 -1.78 4.22 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -178.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.688 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 3.2 t80 -107.72 -84.35 0.53 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.688 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 154.84 81.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.7 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.83 84.25 0.02 OUTLIER Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.373 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.721 HD13 ' NE1' ' A' ' 2' ' ' TRP . 3.3 mp -60.13 -18.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.536 0.208 . . . . 0.0 111.467 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 68.5 35.52 3.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 9.9 p90 -78.16 -47.38 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -108.01 -21.64 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -49.14 -64.09 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.718 0.294 . . . . 0.0 111.059 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 179.787 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.682 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.638 0.256 . . . . 0.0 111.076 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CD2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 94.33 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.244 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -151.29 -76.56 0.14 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.09 -179.128 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.52 ' CD2' ' HG2' ' A' ' 5' ' ' ARG . 40.9 p90 -47.46 -24.63 0.87 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HB2' ' HB3' ' A' ' 1' ' ' LYS . 1.1 mmp_? -98.85 -41.3 7.69 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.642 0.258 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.782 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 42.25 28.65 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-O 121.356 0.598 . . . . 0.0 111.952 178.135 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 0.6 OUTLIER -117.56 27.87 8.8 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.807 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CD2' ' HA ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -144.89 -80.94 0.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 -179.542 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.623 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.13 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.0 110.001 -178.512 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.64 87.81 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.082 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.713 ' O ' ' HD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.49 -39.5 79.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.549 -0.826 . . . . 0.0 111.781 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.713 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 31.16 35.78 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.762 0.791 . . . . 0.0 112.181 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ILE . 28.4 p90 -40.72 -45.18 2.35 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.111 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 4.5 ttt-85 -66.84 -61.9 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.88 0.371 . . . . 0.0 110.516 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.617 ' CG ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.67 79.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.452 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.6 t80 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.043 -179.839 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.876 ' CB ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.934 ' CG ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -81.07 -114.14 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.589 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.626 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -163.94 -76.77 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.221 0.534 . . . . 0.0 111.861 -179.413 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -49.78 -24.2 2.25 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.165 -178.354 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.984 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -131.79 -39.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.718 0.294 . . . . 0.0 111.305 -179.05 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.876 HG23 ' CB ' ' A' ' 1' ' ' LYS . 5.3 p 41.1 57.38 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.974 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CZ ' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -125.11 9.81 8.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.467 179.477 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.708 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -135.85 -108.1 0.21 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.45 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 ptm180 150.04 -71.33 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.524 0.602 . . . . 0.0 112.473 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -38.33 -17.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.984 HD11 ' NH1' ' A' ' 5' ' ' ARG . 11.1 mt -35.88 158.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.243 1.021 . . . . 0.0 111.72 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.66 ' CZ ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-30 -85.35 43.18 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.474 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . 19.6 p90 -83.4 -42.92 16.46 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.964 0.412 . . . . 0.0 110.429 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.4 mtp180 -102.03 -54.18 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.504 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.66 ' HD2' ' CZ ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -44.91 -38.27 4.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.068 0.461 . . . . 0.0 111.214 -179.685 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.8 p90 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.648 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.984 ' HA ' HD11 ' A' ' 11' ' ' ILE . 22.0 mmtt . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HD1' HD13 ' A' ' 11' ' ' ILE . 4.4 p-90 -23.65 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.002 0.521 . . . . 0.0 112.073 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.846 ' H ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.83 -130.24 0.25 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.624 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -20.78 -43.48 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -176.426 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HB2' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -95.23 -36.98 11.23 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.743 1.156 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.786 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 40.71 29.58 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.605 0.717 . . . . 0.0 111.601 177.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -78.07 -20.11 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 9' ' ' ARG . 22.5 t80 -133.73 -70.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.258 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER 92.35 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.74 0.816 . . . . 0.0 111.864 -179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . 94.43 -5.75 70.91 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.882 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.984 HD11 ' HA ' ' A' ' 1' ' ' LYS . 3.8 mp -0.34 -59.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.801 0.84 . . . . 0.0 113.094 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.667 ' N ' ' O ' ' A' ' 10' ' ' GLY . 4.6 t80 110.76 -0.58 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.352 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 5.8 p90 -79.53 -45.07 19.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -96.43 -14.62 22.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.869 178.258 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.585 ' HB3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.53 87.4 6.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.607 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 0.0 111.04 -179.851 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 1.4 mptp? . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.67 0.271 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.879 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -66.62 -105.27 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.815 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -164.72 -145.32 0.08 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.659 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.609 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -0.13 61.71 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -177.806 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.815 ' HG3' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 157.67 -50.98 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.711 0.767 . . . . 0.0 109.931 177.328 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.7 p 40.05 56.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.123 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -112.0 -10.98 13.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.17 178.195 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.701 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -138.72 146.67 41.8 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.257 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.701 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -33.8 -35.26 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 122.802 0.441 . . . . 0.0 112.138 178.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.839 ' O ' HD12 ' A' ' 11' ' ' ILE . . . -160.04 -108.29 0.24 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.012 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.879 HD13 ' CD1' ' A' ' 2' ' ' TRP . 0.6 OUTLIER 179.01 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 77.94 33.06 0.36 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.131 -177.962 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -73.27 -49.31 28.38 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.248 -179.672 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -101.81 20.37 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.182 179.866 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -102.57 -71.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.227 179.476 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 1' ' ' LYS . 3.5 ttmm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.23 0.062 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 1.024 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.52 17.17 2.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.568 -0.853 . . . . 0.0 113.089 -179.372 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.784 ' HE1' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.02 -161.55 0.0 OUTLIER 'General case' 0 C--N 1.362 1.128 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 175.555 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' ' CH2' ' A' ' 2' ' ' TRP . 10.9 p90 7.76 -74.99 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -175.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.839 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -70.57 -45.35 65.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.799 1.181 . . . . 0.0 111.622 -178.349 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.5 p 45.07 18.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 179.606 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.623 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 1.2 p90 -76.49 -17.31 59.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 178.367 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 9' ' ' ARG . 26.7 t80 -125.44 169.01 12.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.13 -179.001 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -65.54 -150.36 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.687 179.547 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -79.7 54.98 4.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.729 -0.748 . . . . 0.0 114.584 -177.777 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.024 HD13 ' CD2' ' A' ' 2' ' ' TRP . 3.0 mp 21.53 -81.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 178.35 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.603 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.3 t80 170.38 -1.69 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.358 -179.043 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 14' ' ' ARG . 11.1 p90 -44.11 -46.26 8.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -114.92 28.33 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.149 -179.897 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.5 -85.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.796 0.332 . . . . 0.0 111.601 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.997 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.8 tptm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.794 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.71 -55.77 17.63 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.253 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.755 ' N ' HH22 ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.98 -88.28 0.22 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 116.968 2.21 . . . . 0.0 116.968 -175.884 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.623 ' C ' ' HG3' ' A' ' 5' ' ' ARG . 47.4 p90 -50.29 19.42 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -174.248 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.813 ' NH2' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -168.93 -37.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.521 1.964 . . . . 0.0 113.372 178.513 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.813 ' H ' ' NH2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 37.01 84.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.659 0.742 . . . . 0.0 110.461 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 8.7 p90 -145.43 -0.55 0.85 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.748 -1.115 . . . . 0.0 112.349 -177.781 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.622 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER -137.94 -78.29 0.37 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.665 -177.076 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.766 ' HA ' ' HB3' ' A' ' 1' ' ' LYS . 3.0 ptt180 111.92 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 177.069 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.622 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -58.03 0.63 0.32 Allowed Glycine 0 CA--C 1.53 1.025 0 C-N-CA 119.277 -1.44 . . . . 0.0 113.49 -179.102 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.997 HD12 ' N ' ' A' ' 1' ' ' LYS . 1.0 OUTLIER -59.04 155.07 2.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.134 0 CA-C-N 117.317 0.558 . . . . 0.0 111.125 -179.654 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.48 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.8 t80 -93.57 50.52 1.48 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.469 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.624 ' H ' HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -53.29 -117.62 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.629 -177.826 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -25.27 0.68 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.087 179.645 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 1.9 mtt85 -44.08 -37.62 3.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.529 ' HB2' ' HE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.718 ' NE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -43.65 -44.99 6.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.05 0.841 . . . . 0.0 112.4 -179.532 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.718 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -176.37 -157.54 0.05 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 178.639 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -38.87 148.57 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -178.916 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.567 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 1.9 mmp_? 96.89 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.684 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 24.87 88.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.92 177.118 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.25 13.12 0.57 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.639 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.739 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -128.68 -107.06 0.3 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.437 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 55.9 mtt180 -157.68 -42.87 0.07 Allowed 'General case' 0 C--N 1.343 0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.273 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.14 104.5 0.18 Allowed Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.193 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.679 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 3.1 mp -90.74 -36.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.166 -0.517 . . . . 0.0 111.278 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 72.47 -58.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.693 -178.122 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 12' ' ' TYR . 40.4 p90 52.44 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 112.796 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -153.86 37.7 0.46 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.552 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 2.3 mtm105 -80.18 -47.46 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.595 179.287 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.207 -179.5 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.846 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.312 0.101 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.605 ' CZ3' ' CG ' ' A' ' 3' ' ' TYR . 29.9 p-90 -100.0 -21.73 15.52 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.623 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.63 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.54 -102.2 0.28 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.676 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.663 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -40.51 -27.93 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.73 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.663 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -102.85 -44.79 5.17 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.835 179.775 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.1 p 39.48 71.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.197 0.522 . . . . 0.0 111.382 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.76 ' CE1' ' HG3' ' A' ' 1' ' ' LYS . 0.3 OUTLIER -157.16 14.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.016 -178.855 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -171.57 -35.6 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.582 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.804 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.2 ptt85 52.45 -100.04 0.09 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -177.415 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' ARG . . . 4.43 46.54 0.0 OUTLIER Glycine 0 N--CA 1.467 0.761 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.846 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 18.0 mt -97.93 -64.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.805 0.812 . . . . 0.0 110.516 -179.537 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 169.27 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.184 -178.927 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -38.49 -48.82 1.44 Allowed 'General case' 0 C--N 1.341 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.923 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 8.5 tmm_? -70.04 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.649 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 1.5 ptm85 -79.59 60.17 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 4.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.543 ' HG3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.63 0.252 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 1.114 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -96.48 -119.22 0.12 Allowed 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.496 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 1.114 ' HD1' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.5 -76.3 0.12 Allowed 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.234 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.834 ' CE1' ' CE3' ' A' ' 2' ' ' TRP . 1.1 p90 -57.98 -26.48 62.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.673 177.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.839 ' NE ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -100.03 -43.98 6.17 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.171 -178.241 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.4 p 7.82 52.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.839 ' CD1' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -122.59 -7.06 8.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.276 0.56 . . . . 0.0 109.589 177.536 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.56 ' HE2' ' H ' ' A' ' 11' ' ' ILE . 3.5 t80 -145.39 171.06 15.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.278 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.545 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -120.24 102.58 8.59 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.749 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 -89.67 0.11 Allowed Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.787 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.696 HD13 ' CD1' ' A' ' 2' ' ' TRP . 4.4 mt 45.05 -102.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 122.607 0.363 . . . . 0.0 111.289 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.466 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 172.76 31.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.71 0.29 . . . . 0.0 110.567 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.644 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 40.6 p90 -64.52 -48.87 73.53 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.057 0.456 . . . . 0.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.4 mmt-85 -111.75 36.78 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 23.3 mmt-85 -130.58 30.25 4.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.706 ' HB2' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 1.003 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -89.79 -108.22 0.09 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 118.299 -1.36 . . . . 0.0 113.145 -179.839 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.674 ' CD1' ' CE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -99.5 -97.99 0.23 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.472 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD1' ' CZ3' ' A' ' 2' ' ' TRP . 1.2 p90 -63.8 55.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.213 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.11 ' NH2' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -162.42 -70.33 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.218 -0.301 . . . . 0.0 111.494 177.905 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 43.76 4.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -179.733 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.718 ' CE1' ' NH2' ' A' ' 5' ' ' ARG . 2.2 p90 -84.15 3.22 35.95 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.823 -0.548 . . . . 0.0 110.613 178.584 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 1.11 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -165.39 159.22 16.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 123.328 0.651 . . . . 0.0 110.068 179.318 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.706 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 3.0 ptt-85 -125.9 114.78 18.98 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.487 178.614 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.554 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . 155.45 -12.94 0.42 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.463 -1.351 . . . . 0.0 113.529 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.003 HD13 ' CE2' ' A' ' 2' ' ' TRP . 49.6 mt -36.74 -52.84 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 117.266 0.533 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 78.8 t80 68.04 42.65 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.323 179.431 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HB3' ' HD1' ' A' ' 2' ' ' TRP . 21.3 p90 -45.61 -52.23 10.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.767 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 16' ' ' TYR . 9.3 mtt180 -131.96 -77.63 0.51 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.455 179.31 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 mmt85 44.76 -83.57 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.289 0.566 . . . . 0.0 112.079 178.525 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.441 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.629 ' CA ' HG21 ' A' ' 6' ' ' VAL . 3.9 mtpp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.276 0.084 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.609 ' C ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.95 -95.71 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.562 -179.273 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.63 ' HD1' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -115.34 -120.91 0.3 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -176.418 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.565 ' CE1' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -60.44 -70.93 0.15 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.778 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.627 ' C ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -83.98 -66.11 0.93 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -178.961 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.63 HG12 ' HD1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 59.07 -51.59 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.439 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' A' ' 6' ' ' VAL . 0.9 OUTLIER 47.02 8.16 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.905 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -162.36 139.28 8.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.161 0.505 . . . . 0.0 111.57 -178.874 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -81.83 88.08 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.995 178.824 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.523 ' C ' ' CZ ' ' A' ' 8' ' ' TYR . . . 128.6 18.11 1.83 Allowed Glycine 0 C--N 1.337 0.632 0 C-N-CA 119.817 -1.182 . . . . 0.0 114.898 179.016 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.667 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -24.31 -65.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 117.937 0.868 . . . . 0.0 112.341 -178.441 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 12' ' ' TYR . 53.2 t80 71.57 9.32 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.018 -179.404 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -74.49 -49.88 20.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.212 0.529 . . . . 0.0 110.37 179.695 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.21 -18.68 63.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.843 -179.638 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -58.14 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.511 179.551 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 14' ' ' ARG . 53.0 p90 . . . . . 0 N--CA 1.463 0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.545 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.494 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 13.8 mtmm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.78 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -12.09 79.29 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.471 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER 13.93 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 112.39 -2.186 . . . . 0.0 115.531 176.348 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CZ ' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.84 57.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.092 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 171.05 -46.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.584 0.23 . . . . 0.0 111.114 178.332 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.804 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.7 p 30.68 56.21 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.813 0.816 . . . . 0.0 111.54 -178.891 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -151.75 23.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.233 179.558 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.63 ' CD2' HG12 ' A' ' 11' ' ' ILE . 48.4 t80 -150.4 176.03 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.29 -177.798 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.525 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 11.9 ptm180 -124.63 118.51 26.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.739 0.78 . . . . 0.0 112.969 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 42.22 99.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 114.39 -1.277 . . . . 0.0 114.344 178.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.739 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 9.1 mt -86.87 -66.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.101 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.8 t80 85.28 30.83 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 -179.318 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -60.85 -53.88 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -179.653 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -81.35 -46.63 14.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.733 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB2' ' CG ' ' A' ' 12' ' ' TYR . 4.1 mtm-85 -50.97 109.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.009 -179.83 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.466 0.174 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.71 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -83.0 62.25 6.45 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.211 0.529 . . . . 0.0 111.045 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.694 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER 28.76 -167.76 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 178.34 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 11.38 36.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -178.733 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.775 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -152.32 -63.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.796 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 56.21 -42.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 175.665 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -43.77 -31.14 0.75 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.183 0.516 . . . . 0.0 112.149 -178.916 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 1.002 ' HD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -94.89 -16.65 22.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.148 -178.537 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.002 ' N ' ' HD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 71.45 -52.78 0.69 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -175.288 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -138.08 80.33 0.29 Allowed Glycine 0 C--N 1.334 0.432 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 178.558 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.834 HG12 ' CZ ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -5.18 -86.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.354 0.662 . . . . 0.0 112.655 -178.195 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.593 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 58.4 t80 134.33 -11.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.815 0.846 . . . . 0.0 109.802 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -58.96 -44.58 91.52 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.472 -179.473 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 12.3 mtm180 -64.89 -59.64 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.821 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -54.83 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.699 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.408 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 47.4 t80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.57 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.612 ' N ' ' O ' ' A' ' 8' ' ' TYR . 3.5 mtmp? . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 110.834 -0.061 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 1.067 ' CZ2' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.64 -44.95 63.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 118.864 -1.134 . . . . 0.0 112.998 -177.511 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.755 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -173.86 -86.72 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.524 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -64.16 62.25 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -177.234 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.825 ' HD3' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 168.87 -55.67 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.064 0.459 . . . . 0.0 112.067 177.736 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.825 ' H ' ' HD3' ' A' ' 5' ' ' ARG . 1.7 p 37.11 71.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.734 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 5' ' ' ARG . 2.4 p90 -144.52 2.25 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 178.307 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -164.77 141.63 6.09 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 122.823 0.449 . . . . 0.0 111.047 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -104.75 124.84 50.1 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.598 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.532 ' C ' ' OH ' ' A' ' 8' ' ' TYR . . . 135.82 -3.69 3.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.801 -179.538 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.067 HG21 ' CZ2' ' A' ' 2' ' ' TRP . 5.4 mt -46.53 172.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.803 0.811 . . . . 0.0 113.088 -177.424 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.815 ' H ' HG22 ' A' ' 11' ' ' ILE . 47.1 t80 -94.55 77.9 3.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.274 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.494 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -93.96 -91.21 0.19 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.131 -179.313 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmt-85 -48.76 -26.32 2.29 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.037 0.446 . . . . 0.0 110.654 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 7.5 mmm-85 -54.99 -25.38 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 179.548 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.16 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.895 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.729 0.3 . . . . 5.9900000000000002 110.763 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.851 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -57.48 -80.1 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 114.143 1.164 . . . . 4.54 114.143 -178.572 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.794 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -121.39 -142.05 0.34 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.201 1.556 . . . . 3.1600000000000001 115.201 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.697 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -24.83 -34.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.288 1.958 . . . . 2.7799999999999998 116.288 -175.631 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.697 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.3 -42.6 11.49 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 119.381 0.991 . . . . 5.2599999999999998 110.596 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.895 HG23 ' HB2' ' A' ' 1' ' ' LYS . 0.3 OUTLIER 35.14 70.24 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.157 0.503 . . . . 2.4399999999999999 110.848 178.377 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.28 14.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.836 0.68 . . . . 2.8399999999999999 112.836 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 8.3 t80 -139.54 -89.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.982 0.734 . . . . 2.46 112.982 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.571 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 103.54 116.41 0.01 OUTLIER 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.26 1.024 . . . . 4.7699999999999996 109.159 -177.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.27 -13.98 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.083 -1.056 . . . . 2.2999999999999998 113.426 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.851 HD13 ' CD1' ' A' ' 2' ' ' TRP . 3.3 mt -47.78 -31.33 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.817 0.309 . . . . 1.8799999999999999 111.673 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 12.1 t80 60.64 35.24 19.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 4.29 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 1.8 p90 -78.76 -39.38 36.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 5.7199999999999998 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 6.3 mmt180 -108.98 29.5 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 7.0800000000000001 110.881 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.9 mmt180 -115.7 30.65 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 5.3200000000000003 110.844 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.43 ' CE2' ' NH2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -62.68 129.89 42.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 6.0499999999999998 110.843 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' NH2' ' CE2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.238 -0.887 . . . . 6.6799999999999997 110.9 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.606 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -82.63 -105.66 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.645 ' H ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.77 -111.77 0.12 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.258 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.569 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -66.52 55.23 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HD2' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 175.38 36.92 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.999 177.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -69.98 70.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.77 0.795 . . . . 0.0 109.795 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -145.17 7.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.725 -178.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 2.5 t80 -135.42 -76.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 96.9 128.44 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.993 0.917 . . . . 0.0 110.802 -179.027 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.33 9.77 24.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.729 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.605 HD11 ' HD2' ' A' ' 5' ' ' ARG . 1.6 mp -46.56 -31.96 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 120.945 0.402 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 70.54 20.16 5.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.334 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD2' ' CE2' ' A' ' 2' ' ' TRP . 21.0 p90 -59.85 -52.29 66.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.102 0.477 . . . . 0.0 110.253 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.529 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.0 mmm180 -115.15 -83.31 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.915 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 24.44 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.17 0.588 . . . . 0.0 112.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER 57.69 166.93 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.787 ' HB3' HG23 ' A' ' 6' ' ' VAL . 5.8 mmtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.4 0.143 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.639 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -53.41 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.674 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.613 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -122.55 -127.12 0.26 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.604 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 14.8 p90 -38.88 -41.97 0.8 Allowed 'General case' 0 C--N 1.341 0.214 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.647 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 1.2 mmp_? -69.86 -43.17 72.43 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.939 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.787 HG23 ' HB3' ' A' ' 1' ' ' LYS . 1.6 p 22.87 66.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.303 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -153.32 23.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.054 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.748 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -137.62 -94.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.507 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.748 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 3.1 mmt85 -160.38 -61.91 0.06 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 109.433 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -161.3 57.5 0.31 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.826 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.639 ' CG1' ' HB3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.24 -76.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 55.75 24.85 7.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.296 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 14' ' ' ARG . 35.0 p90 -55.93 -24.07 35.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.155 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 1.1 mtt-85 -103.81 -51.37 3.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.518 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -66.06 -62.85 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.157 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 60.54 119.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.307 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.857 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.924 ' CB ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CD1' HD13 ' A' ' 11' ' ' ILE . 42.8 p-90 69.69 -14.2 0.36 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.75 ' CD1' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -141.27 -79.39 0.26 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.857 -0.527 . . . . 0.0 110.904 178.251 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -65.07 64.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.609 179.557 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.674 ' HD2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 170.76 -46.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.718 -178.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 36.65 69.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 122.051 0.929 . . . . 0.0 110.698 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.674 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -152.01 13.45 0.6 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.25 -178.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.564 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 74.6 t80 -159.91 -173.02 3.87 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.356 -176.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -176.43 72.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.586 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.487 ' N ' ' CE2' ' A' ' 8' ' ' TYR . . . -153.58 -21.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.992 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.924 HD11 ' CB ' ' A' ' 1' ' ' LYS . 5.2 mt -35.4 -74.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.602 0.715 . . . . 0.0 112.041 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.484 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 168.05 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.622 -178.791 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -40.61 -37.76 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.654 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 5.4 ptm180 -65.96 -39.95 90.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.665 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.68 -12.5 61.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.716 0.293 . . . . 0.0 110.668 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -46.93 171.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.47 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.941 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.71 ' N ' HD12 ' A' ' 11' ' ' ILE . 16.2 tttp . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.829 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -117.31 20.36 13.68 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.685 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.08 -150.7 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.622 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -12.91 78.97 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -175.305 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.733 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 155.6 -51.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.603 175.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.806 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 34.73 66.72 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.403 1.096 . . . . 0.0 110.241 -178.288 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.58 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -149.74 11.84 0.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.854 -178.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 42.1 t80 -167.58 -179.83 4.54 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.017 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -151.66 -25.36 0.19 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.603 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -52.38 -4.49 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 120.872 -0.68 . . . . 0.0 114.661 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.829 HD13 ' CD2' ' A' ' 2' ' ' TRP . 76.9 mt -46.82 -54.91 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.429 1.114 . . . . 0.0 110.445 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 65.59 30.91 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.992 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.637 ' CD1' ' HB3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -60.41 -46.12 91.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.986 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -118.46 -19.29 8.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.441 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.477 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -45.16 -75.03 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 68.11 -66.64 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.634 ' H3 ' HG23 ' A' ' 6' ' ' VAL . 9.1 mptt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.697 0.284 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.718 ' CD1' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -68.43 -103.26 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.662 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.683 ' CE1' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.79 -37.89 0.22 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.48 0.312 . . . . 0.0 111.642 -179.494 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.697 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -123.48 -31.79 3.46 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.809 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.697 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mmp_? -74.54 -60.44 2.27 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.5 p 39.91 29.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.956 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 1.3 p90 -134.39 34.28 3.26 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.695 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -161.74 -78.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.663 -178.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.861 ' HG3' ' H ' ' A' ' 10' ' ' GLY . 8.9 tpp180 115.22 -153.33 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.861 ' H ' ' HG3' ' A' ' 9' ' ' ARG . . . 31.76 7.3 0.0 OUTLIER Glycine 0 CA--C 1.536 1.394 0 N-CA-C 117.92 1.928 . . . . 0.0 117.92 177.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.754 ' N ' ' O ' ' A' ' 9' ' ' ARG . 89.4 mt -65.57 168.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.754 1.777 . . . . 0.0 111.059 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.704 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -47.27 -23.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.236 179.252 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.718 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 1.5 p90 -41.87 -47.84 4.3 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 109.696 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.4 tpt180 -79.69 -28.89 40.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.47 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HB2' ' HA ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -58.1 -31.98 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.342 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -45.52 150.15 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.655 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.592 ' HB3' HG21 ' A' ' 6' ' ' VAL . 6.7 mmmt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 119.526 -0.273 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.972 ' CE3' ' N ' ' A' ' 3' ' ' TYR 0.284 0.0 OUTLIER -77.7 -102.41 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.58 -1.248 . . . . 0.0 110.853 -179.89 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.972 ' N ' ' CE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -98.42 -122.48 0.14 Allowed 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 179.389 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.656 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -62.53 -70.51 0.2 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -174.358 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.822 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -68.35 -70.11 0.28 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.304 0.573 . . . . 0.0 109.998 -176.76 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 63.39 -60.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.296 176.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.755 ' CD1' ' C ' ' A' ' 6' ' ' VAL . 1.8 p90 37.44 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.057 0.455 . . . . 0.0 111.522 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 1.6 t80 -163.74 -177.44 5.16 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.518 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 6.2 ptm180 -102.52 94.02 5.44 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.517 ' C ' ' HE1' ' A' ' 8' ' ' TYR . . . 51.73 84.54 0.02 OUTLIER Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.941 177.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.856 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.4 mp -59.88 -38.15 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.019 0.437 . . . . 0.0 110.631 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 6.1 t80 57.07 24.82 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.444 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.856 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -100.05 5.05 45.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.614 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 -63.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.101 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -52.42 24.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HA ' ' CE1' ' A' ' 12' ' ' TYR . 0.6 OUTLIER 57.01 166.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.168 179.649 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.92 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 7.7 mmtt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 110.822 -0.066 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.156 ' CD2' HD12 ' A' ' 11' ' ' ILE . 1.3 m-90 -48.49 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.658 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 164.21 -65.26 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.429 -176.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -58.19 53.31 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.264 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.724 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 165.92 -35.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.413 -0.915 . . . . 0.0 113.46 178.502 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.736 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.2 p 25.62 72.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.85 0.833 . . . . 0.0 111.325 -176.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.634 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -171.96 21.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.499 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.666 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 48.4 t80 -165.82 174.39 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.597 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.3 ptt85 -156.0 69.99 0.68 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.514 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.666 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . -155.13 -22.35 0.04 OUTLIER Glycine 0 CA--C 1.527 0.782 0 C-N-CA 120.404 -0.903 . . . . 0.0 114.384 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.156 HD12 ' CD2' ' A' ' 2' ' ' TRP . 5.4 mt -48.16 -43.31 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.047 0.924 . . . . 0.0 110.127 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 47.44 26.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.748 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.64 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -101.4 29.64 4.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.3 0.571 . . . . 0.0 110.829 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -32.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -43.67 -27.65 0.33 Allowed 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -41.92 -31.88 0.38 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.575 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.818 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.59 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.6 mmmp? . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.694 0.283 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HB3' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 -149.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.595 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.647 ' CD2' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -134.71 -123.99 0.16 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.698 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -32.9 -31.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -176.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.698 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -114.9 -28.3 7.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.993 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.753 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.1 p 35.71 68.02 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.141 0.496 . . . . 0.0 111.559 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.534 ' CZ ' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -133.37 9.04 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.054 -178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 40.1 t80 -131.62 166.63 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.502 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.647 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -125.19 114.83 19.52 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.464 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' HE1' ' A' ' 8' ' ' TYR . . . 61.82 91.68 0.02 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.335 -0.848 . . . . 0.0 115.163 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.624 HG13 ' CD1' ' A' ' 8' ' ' TYR . 4.2 mt -112.06 -33.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.255 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.2 t80 63.76 18.92 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.58 -70.72 0.39 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -98.62 27.54 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -23.19 17.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -47.33 -36.16 9.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.183 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' N ' ' CD ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.784 ' HB3' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.642 0.258 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.931 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 33.22 95.94 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.875 0.87 . . . . 0.0 112.046 -178.136 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.931 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 88.13 -161.54 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 177.115 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' CD2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -14.5 -62.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.286 -1.324 . . . . 0.0 113.364 -179.297 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 4.2 mmp_? -61.9 -59.83 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.153 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.624 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.9 p 37.6 73.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.321 0.582 . . . . 0.0 111.149 178.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -167.64 28.46 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.092 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CD1' ' HD3' ' A' ' 9' ' ' ARG . 5.2 t80 -145.47 -127.21 0.07 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.68 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.67 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 174.42 35.26 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.103 0.411 . . . . 0.0 110.867 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -150.13 -104.35 0.3 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.961 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.784 HD12 ' HB3' ' A' ' 1' ' ' LYS . 1.4 mt 69.87 -49.57 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 122.798 0.439 . . . . 0.0 110.913 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.464 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.4 OUTLIER 76.16 34.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.618 ' CE1' ' HB2' ' A' ' 2' ' ' TRP . 12.8 p90 -68.48 -54.13 18.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.145 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.523 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 44.8 ptt85 -104.57 29.67 5.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.572 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 6.1 mmt180 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 48.2 p90 41.58 51.1 3.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.797 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.834 179.788 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 111.483 0.179 . . . . 0.0 111.483 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.783 ' CE2' ' HE1' ' A' ' 3' ' ' TYR . 1.7 t90 -37.88 95.68 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 123.87 1.795 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.783 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -34.62 -121.2 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 110.084 -3.235 . . . . 0.0 115.177 -178.369 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.688 ' CD2' ' CH2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.63 75.69 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 149.04 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.595 177.586 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.685 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.0 p 36.96 69.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.981 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 5' ' ' ARG . 1.2 p90 -125.85 -13.47 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.362 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.707 ' CD1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -113.56 -81.32 0.6 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 121.295 -0.162 . . . . 0.0 111.359 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.707 ' HB2' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 178.3 -38.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.982 -178.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.491 ' C ' ' CE2' ' A' ' 8' ' ' TYR . . . 163.08 89.8 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.447 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.697 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 1.9 mp -38.62 -81.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.381 0.673 . . . . 0.0 111.81 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.639 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 177.74 35.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.554 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -55.49 -41.08 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.54 15.76 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -124.75 27.57 6.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.419 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.72 171.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 1.034 ' CB ' HD11 ' A' ' 11' ' ' ILE . 12.7 mttp . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.05 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -24.94 -37.58 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -176.739 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.71 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -172.79 -90.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -176.513 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 32.2 p90 -41.32 -20.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 1.4 mmp_? -107.48 -37.61 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.47 0.577 . . . . 0.0 111.743 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 39.5 68.11 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 121.832 0.825 . . . . 0.0 111.839 178.081 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.603 ' H ' ' N ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -156.15 22.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.546 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' HB3' ' CG ' ' A' ' 1' ' ' LYS . 85.3 t80 -166.38 179.54 5.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.944 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.75 112.85 11.71 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 54.76 88.46 0.01 OUTLIER Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.634 -1.166 . . . . 0.0 114.836 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.05 HD13 ' CE2' ' A' ' 2' ' ' TRP . 3.1 mp -74.26 -40.81 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 12' ' ' TYR . 3.1 t80 63.33 67.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.637 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 11.5 p90 -93.59 -46.39 7.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.753 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -136.94 50.48 2.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 111.357 -179.494 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.68 37.31 3.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -85.42 53.84 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.259 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.978 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.759 ' HB3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.516 0.198 . . . . 0.0 110.739 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.145 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -50.88 -81.34 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.452 -179.323 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.623 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -127.18 -124.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -178.385 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.55 ' C ' ' HG2' ' A' ' 5' ' ' ARG . 2.6 p90 -45.97 144.11 1.97 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.714 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' HG2' ' C ' ' A' ' 4' ' ' PHE . 0.8 OUTLIER 84.33 -48.83 0.11 Allowed 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.498 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.807 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.02 67.47 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 122.135 0.969 . . . . 0.0 110.967 178.208 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.417 ' C ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.2 16.99 1.9 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.107 -178.71 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.817 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -142.43 -118.29 0.1 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.133 -178.005 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.817 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 ppt_? 151.04 -67.78 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.759 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.592 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -64.99 28.57 0.11 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.096 -0.574 . . . . 0.0 114.289 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.145 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.08 -44.03 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 117.677 0.738 . . . . 0.0 111.251 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CD2' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 67.52 12.96 9.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.459 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER 34.7 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.156 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -101.56 -78.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER 32.36 -89.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.034 0.534 . . . . 0.0 112.391 179.44 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.2 p90 38.06 34.25 0.06 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.923 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.11 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.946 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.81 -84.39 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.345 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.653 ' CE1' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -129.41 -123.29 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.529 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.653 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -7.42 -72.13 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.3 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -76.34 -34.92 58.97 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.268 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.68 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.4 p 35.73 68.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.214 0.531 . . . . 0.0 110.767 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 1.9 p90 -143.66 -43.6 0.28 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.843 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 1' ' ' LYS . 15.2 t80 -106.18 154.82 20.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.811 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -112.08 102.36 10.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.21 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.12 -95.59 0.14 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 2' ' ' TRP . 4.6 mt 63.97 -45.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 72.79 45.3 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 14' ' ' ARG . 10.4 p90 -77.94 -51.15 10.85 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.737 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -126.97 -23.42 3.64 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 4.3 ptp180 -54.54 -19.99 6.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CE2' ' HA ' ' A' ' 14' ' ' ARG . 27.1 p90 -45.14 135.04 5.83 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 111.508 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.806 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.643 ' CA ' ' HB ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.719 0.295 . . . . 0.0 111.463 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.0 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.35 -60.51 3.69 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 1.047 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -154.51 -113.79 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -174.816 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.553 ' CE1' ' NE ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -45.69 -7.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -175.22 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.583 ' CZ ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -156.95 34.65 0.3 Allowed 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.612 -179.206 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 1.047 HG13 ' O ' ' A' ' 3' ' ' TYR . 2.8 m -56.61 120.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 113.492 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -147.89 16.57 1.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.064 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.694 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 5.7 t80 -142.15 -93.48 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.694 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 159.15 36.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -179.785 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.607 ' O ' HD12 ' A' ' 11' ' ' ILE . . . 162.88 -92.68 0.11 Allowed Glycine 0 C--N 1.335 0.518 0 C-N-CA 119.712 -1.232 . . . . 0.0 113.391 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.0 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER 70.86 -63.94 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.237 0.615 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 55.45 29.66 13.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.688 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.848 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -76.91 -36.72 56.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.153 -179.227 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 11.8 ptm180 -136.68 21.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -62.92 1.36 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 57.22 -158.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.054 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.642 ' HB2' ' O ' ' A' ' 8' ' ' TYR . 4.0 tttm . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.227 0.084 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.728 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.69 -102.44 0.28 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -179.592 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.728 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -91.57 -98.02 0.12 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 117.122 2.268 . . . . 0.0 117.122 -175.38 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CE2' ' CG ' ' A' ' 5' ' ' ARG . 8.4 p90 -55.35 -71.24 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.637 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -75.63 -76.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.321 0.509 . . . . 0.0 110.14 -178.587 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.681 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 50.34 27.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-O 122.007 0.908 . . . . 0.0 110.725 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HD1' ' H ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -42.67 -45.45 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.636 178.479 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.642 ' O ' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -124.03 -152.73 0.52 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.533 178.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.58 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -127.77 -31.0 2.47 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -177.693 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 8' ' ' TYR . . . -41.49 -20.78 0.05 OUTLIER Glycine 0 N--CA 1.466 0.64 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.66 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.633 ' CG2' ' HD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -22.51 145.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.763 ' CG ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -84.31 -28.41 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.931 -1.486 . . . . 0.0 107.024 176.465 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.633 ' HD1' ' CG2' ' A' ' 11' ' ' ILE . 10.3 p90 52.78 -70.61 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 113.852 -1.522 . . . . 0.0 114.225 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -105.13 -80.38 0.55 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.005 0.366 . . . . 0.0 111.846 -178.776 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.763 ' HG2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 25.51 -124.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.285 0.634 . . . . 0.0 112.491 179.123 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.721 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 71.25 -70.71 0.15 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.844 0.354 . . . . 0.0 111.031 179.212 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.791 ' HG3' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.721 ' NE1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.22 -81.28 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.187 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.641 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -130.74 -179.12 5.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 p90 23.77 -65.6 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.634 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -73.34 -41.84 62.98 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 119.115 0.871 . . . . 0.0 111.072 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.791 HG23 ' HG3' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 35.92 69.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.488 178.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.76 -1.78 4.22 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -178.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.688 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 3.2 t80 -107.72 -84.35 0.53 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 154.84 81.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.7 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.83 84.25 0.02 OUTLIER Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.373 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.721 HD13 ' NE1' ' A' ' 2' ' ' TRP . 3.3 mp -60.13 -18.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.536 0.208 . . . . 0.0 111.467 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 68.5 35.52 3.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 9.9 p90 -78.16 -47.38 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -108.01 -21.64 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -49.14 -64.09 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.718 0.294 . . . . 0.0 111.059 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 63.19 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.682 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.638 0.256 . . . . 0.0 111.076 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CD2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 94.33 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.244 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -151.29 -76.56 0.14 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.09 -179.128 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.52 ' CD2' ' HG2' ' A' ' 5' ' ' ARG . 40.9 p90 -47.46 -24.63 0.87 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HB2' ' HB3' ' A' ' 1' ' ' LYS . 1.1 mmp_? -98.85 -41.3 7.69 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.642 0.258 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.782 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 42.25 28.65 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-O 121.356 0.598 . . . . 0.0 111.952 178.135 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 0.6 OUTLIER -117.56 27.87 8.8 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.807 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CD2' ' HA ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -144.89 -80.94 0.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 -179.542 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.623 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.13 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.0 110.001 -178.512 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.64 87.81 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.082 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.713 ' O ' ' HD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.49 -39.5 79.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.549 -0.826 . . . . 0.0 111.781 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.713 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 31.16 35.78 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.762 0.791 . . . . 0.0 112.181 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ILE . 28.4 p90 -40.72 -45.18 2.35 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.111 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 4.5 ttt-85 -66.84 -61.9 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.88 0.371 . . . . 0.0 110.516 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.617 ' CG ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.67 79.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.452 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -95.18 67.45 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.043 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.876 ' CB ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.934 ' CG ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -81.07 -114.14 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.589 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.626 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -163.94 -76.77 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.221 0.534 . . . . 0.0 111.861 -179.413 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -49.78 -24.2 2.25 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.165 -178.354 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.984 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -131.79 -39.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.718 0.294 . . . . 0.0 111.305 -179.05 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.876 HG23 ' CB ' ' A' ' 1' ' ' LYS . 5.3 p 41.1 57.38 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.974 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CZ ' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -125.11 9.81 8.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.467 179.477 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.708 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -135.85 -108.1 0.21 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.45 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 ptm180 150.04 -71.33 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.524 0.602 . . . . 0.0 112.473 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -38.33 -17.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.984 HD11 ' NH1' ' A' ' 5' ' ' ARG . 11.1 mt -35.88 158.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.243 1.021 . . . . 0.0 111.72 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.66 ' CZ ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-30 -85.35 43.18 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . 19.6 p90 -83.4 -42.92 16.46 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.964 0.412 . . . . 0.0 110.429 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.4 mtp180 -102.03 -54.18 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.504 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.66 ' HD2' ' CZ ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -44.91 -38.27 4.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.068 0.461 . . . . 0.0 111.214 -179.685 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 4.8 p90 -27.36 -46.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.648 -178.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.606 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.984 ' HA ' HD11 ' A' ' 11' ' ' ILE . 22.0 mmtt . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HD1' HD13 ' A' ' 11' ' ' ILE . 4.4 p-90 -23.65 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.002 0.521 . . . . 0.0 112.073 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.846 ' H ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.83 -130.24 0.25 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.624 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -20.78 -43.48 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -176.426 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HB2' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -95.23 -36.98 11.23 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.743 1.156 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.786 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 40.71 29.58 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.605 0.717 . . . . 0.0 111.601 177.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -78.07 -20.11 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 9' ' ' ARG . 22.5 t80 -133.73 -70.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.258 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER 92.35 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.74 0.816 . . . . 0.0 111.864 -179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . 94.43 -5.75 70.91 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.882 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.984 HD11 ' HA ' ' A' ' 1' ' ' LYS . 3.8 mp -0.34 -59.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.801 0.84 . . . . 0.0 113.094 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.667 ' N ' ' O ' ' A' ' 10' ' ' GLY . 4.6 t80 110.76 -0.58 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.352 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 5.8 p90 -79.53 -45.07 19.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -96.43 -14.62 22.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.869 178.258 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.585 ' HB3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.53 87.4 6.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.607 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -100.69 144.17 29.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 0.0 111.04 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.99 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 1.4 mptp? . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.67 0.271 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.879 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -66.62 -105.27 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.815 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -164.72 -145.32 0.08 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.659 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -0.13 61.71 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -177.806 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.815 ' HG3' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 157.67 -50.98 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.711 0.767 . . . . 0.0 109.931 177.328 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.7 p 40.05 56.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.123 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -112.0 -10.98 13.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.17 178.195 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.701 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -138.72 146.67 41.8 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.257 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.701 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -33.8 -35.26 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 122.802 0.441 . . . . 0.0 112.138 178.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.839 ' O ' HD12 ' A' ' 11' ' ' ILE . . . -160.04 -108.29 0.24 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.012 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.879 HD13 ' CD1' ' A' ' 2' ' ' TRP . 0.6 OUTLIER 179.01 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 77.94 33.06 0.36 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.131 -177.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -73.27 -49.31 28.38 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.248 -179.672 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -101.81 20.37 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.182 179.866 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -102.57 -71.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.227 179.476 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 51.01 99.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 1' ' ' LYS . 3.5 ttmm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.23 0.062 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.024 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.52 17.17 2.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.568 -0.853 . . . . 0.0 113.089 -179.372 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.784 ' HE1' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.02 -161.55 0.0 OUTLIER 'General case' 0 C--N 1.362 1.128 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 175.555 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' ' CH2' ' A' ' 2' ' ' TRP . 10.9 p90 7.76 -74.99 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -175.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.839 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -70.57 -45.35 65.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.799 1.181 . . . . 0.0 111.622 -178.349 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.5 p 45.07 18.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 179.606 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.623 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 1.2 p90 -76.49 -17.31 59.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 178.367 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 9' ' ' ARG . 26.7 t80 -125.44 169.01 12.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.13 -179.001 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -65.54 -150.36 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.687 179.547 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -79.7 54.98 4.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.729 -0.748 . . . . 0.0 114.584 -177.777 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.024 HD13 ' CD2' ' A' ' 2' ' ' TRP . 3.0 mp 21.53 -81.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 178.35 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.603 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.3 t80 170.38 -1.69 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.358 -179.043 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 14' ' ' ARG . 11.1 p90 -44.11 -46.26 8.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -114.92 28.33 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.149 -179.897 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.5 -85.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 44.79 30.97 0.6 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.796 0.332 . . . . 0.0 111.601 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.023 179.891 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.997 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.8 tptm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.794 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.71 -55.77 17.63 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.253 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.755 ' N ' HH22 ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.98 -88.28 0.22 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 116.968 2.21 . . . . 0.0 116.968 -175.884 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.623 ' C ' ' HG3' ' A' ' 5' ' ' ARG . 47.4 p90 -50.29 19.42 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -174.248 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.813 ' NH2' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -168.93 -37.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.521 1.964 . . . . 0.0 113.372 178.513 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.813 ' H ' ' NH2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 37.01 84.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.659 0.742 . . . . 0.0 110.461 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 8.7 p90 -145.43 -0.55 0.85 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.748 -1.115 . . . . 0.0 112.349 -177.781 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.622 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER -137.94 -78.29 0.37 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.665 -177.076 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.766 ' HA ' ' HB3' ' A' ' 1' ' ' LYS . 3.0 ptt180 111.92 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 177.069 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.622 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -58.03 0.63 0.32 Allowed Glycine 0 CA--C 1.53 1.025 0 C-N-CA 119.277 -1.44 . . . . 0.0 113.49 -179.102 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.997 HD12 ' N ' ' A' ' 1' ' ' LYS . 1.0 OUTLIER -59.04 155.07 2.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.134 0 CA-C-N 117.317 0.558 . . . . 0.0 111.125 -179.654 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.48 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.8 t80 -93.57 50.52 1.48 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.469 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.624 ' H ' HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -53.29 -117.62 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.629 -177.826 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -25.27 0.68 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.087 179.645 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 1.9 mtt85 -44.08 -37.62 3.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.37 131.47 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.529 ' HB2' ' HE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.718 ' NE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -43.65 -44.99 6.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.05 0.841 . . . . 0.0 112.4 -179.532 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.718 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -176.37 -157.54 0.05 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 178.639 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -38.87 148.57 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -178.916 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.567 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 1.9 mmp_? 96.89 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.684 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 24.87 88.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.92 177.118 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.25 13.12 0.57 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.639 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.739 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -128.68 -107.06 0.3 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.437 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 55.9 mtt180 -157.68 -42.87 0.07 Allowed 'General case' 0 C--N 1.343 0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.273 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.14 104.5 0.18 Allowed Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.193 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.679 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 3.1 mp -90.74 -36.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.166 -0.517 . . . . 0.0 111.278 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 72.47 -58.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.693 -178.122 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 12' ' ' TYR . 40.4 p90 52.44 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 112.796 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -153.86 37.7 0.46 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.552 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 2.3 mtm105 -80.18 -47.46 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.595 179.287 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -45.28 -70.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.207 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.883 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.846 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.312 0.101 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.605 ' CZ3' ' CG ' ' A' ' 3' ' ' TYR . 29.9 p-90 -100.0 -21.73 15.52 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.623 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.63 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.54 -102.2 0.28 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.676 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.663 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -40.51 -27.93 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.73 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.663 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -102.85 -44.79 5.17 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.835 179.775 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.1 p 39.48 71.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.197 0.522 . . . . 0.0 111.382 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.76 ' CE1' ' HG3' ' A' ' 1' ' ' LYS . 0.3 OUTLIER -157.16 14.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.016 -178.855 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -171.57 -35.6 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.582 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.804 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.2 ptt85 52.45 -100.04 0.09 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -177.415 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' ARG . . . 4.43 46.54 0.0 OUTLIER Glycine 0 N--CA 1.467 0.761 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.846 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 18.0 mt -97.93 -64.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.805 0.812 . . . . 0.0 110.516 -179.537 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 169.27 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.184 -178.927 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -38.49 -48.82 1.44 Allowed 'General case' 0 C--N 1.341 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.923 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 8.5 tmm_? -70.04 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.649 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 1.5 ptm85 -79.59 60.17 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 4.0 p90 -94.12 121.69 35.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.522 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.543 ' HG3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.63 0.252 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.114 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -96.48 -119.22 0.12 Allowed 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.496 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 1.114 ' HD1' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.5 -76.3 0.12 Allowed 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.234 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.834 ' CE1' ' CE3' ' A' ' 2' ' ' TRP . 1.1 p90 -57.98 -26.48 62.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.673 177.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.839 ' NE ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -100.03 -43.98 6.17 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.171 -178.241 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.4 p 7.82 52.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.839 ' CD1' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -122.59 -7.06 8.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.276 0.56 . . . . 0.0 109.589 177.536 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.56 ' HE2' ' H ' ' A' ' 11' ' ' ILE . 3.5 t80 -145.39 171.06 15.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.278 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -120.24 102.58 8.59 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.749 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 -89.67 0.11 Allowed Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.787 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.696 HD13 ' CD1' ' A' ' 2' ' ' TRP . 4.4 mt 45.05 -102.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 122.607 0.363 . . . . 0.0 111.289 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.466 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 172.76 31.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.71 0.29 . . . . 0.0 110.567 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.644 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 40.6 p90 -64.52 -48.87 73.53 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.057 0.456 . . . . 0.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.4 mmt-85 -111.75 36.78 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 23.3 mmt-85 -130.58 30.25 4.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.55 77.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.706 ' HB2' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.003 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -89.79 -108.22 0.09 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 118.299 -1.36 . . . . 0.0 113.145 -179.839 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.674 ' CD1' ' CE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -99.5 -97.99 0.23 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.472 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD1' ' CZ3' ' A' ' 2' ' ' TRP . 1.2 p90 -63.8 55.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.213 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.11 ' NH2' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -162.42 -70.33 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.218 -0.301 . . . . 0.0 111.494 177.905 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 43.76 4.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -179.733 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.718 ' CE1' ' NH2' ' A' ' 5' ' ' ARG . 2.2 p90 -84.15 3.22 35.95 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.823 -0.548 . . . . 0.0 110.613 178.584 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 1.11 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -165.39 159.22 16.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 123.328 0.651 . . . . 0.0 110.068 179.318 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.706 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 3.0 ptt-85 -125.9 114.78 18.98 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.487 178.614 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.554 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . 155.45 -12.94 0.42 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.463 -1.351 . . . . 0.0 113.529 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.003 HD13 ' CE2' ' A' ' 2' ' ' TRP . 49.6 mt -36.74 -52.84 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 117.266 0.533 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 78.8 t80 68.04 42.65 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.323 179.431 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HB3' ' HD1' ' A' ' 2' ' ' TRP . 21.3 p90 -45.61 -52.23 10.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.767 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 16' ' ' TYR . 9.3 mtt180 -131.96 -77.63 0.51 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.455 179.31 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 mmt85 44.76 -83.57 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.289 0.566 . . . . 0.0 112.079 178.525 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.0 p90 40.73 32.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.441 -179.086 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.629 ' CA ' HG21 ' A' ' 6' ' ' VAL . 3.9 mtpp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.276 0.084 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.609 ' C ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.95 -95.71 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.562 -179.273 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.63 ' HD1' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -115.34 -120.91 0.3 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -176.418 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.565 ' CE1' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -60.44 -70.93 0.15 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.778 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.627 ' C ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -83.98 -66.11 0.93 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -178.961 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.63 HG12 ' HD1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 59.07 -51.59 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.439 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' A' ' 6' ' ' VAL . 0.9 OUTLIER 47.02 8.16 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.905 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -162.36 139.28 8.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.161 0.505 . . . . 0.0 111.57 -178.874 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -81.83 88.08 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.995 178.824 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' C ' ' CZ ' ' A' ' 8' ' ' TYR . . . 128.6 18.11 1.83 Allowed Glycine 0 C--N 1.337 0.632 0 C-N-CA 119.817 -1.182 . . . . 0.0 114.898 179.016 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.667 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -24.31 -65.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 117.937 0.868 . . . . 0.0 112.341 -178.441 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 12' ' ' TYR . 53.2 t80 71.57 9.32 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.018 -179.404 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -74.49 -49.88 20.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.212 0.529 . . . . 0.0 110.37 179.695 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.21 -18.68 63.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.843 -179.638 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -58.14 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.511 179.551 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 14' ' ' ARG . 53.0 p90 43.55 38.97 2.07 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.545 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.494 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 13.8 mtmm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.78 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -12.09 79.29 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.471 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER 13.93 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 112.39 -2.186 . . . . 0.0 115.531 176.348 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CZ ' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.84 57.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.092 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 171.05 -46.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.584 0.23 . . . . 0.0 111.114 178.332 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.804 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.7 p 30.68 56.21 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.813 0.816 . . . . 0.0 111.54 -178.891 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -151.75 23.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.233 179.558 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.63 ' CD2' HG12 ' A' ' 11' ' ' ILE . 48.4 t80 -150.4 176.03 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.29 -177.798 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 11.9 ptm180 -124.63 118.51 26.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.739 0.78 . . . . 0.0 112.969 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 42.22 99.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 114.39 -1.277 . . . . 0.0 114.344 178.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.739 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 9.1 mt -86.87 -66.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.101 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.8 t80 85.28 30.83 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 -179.318 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -60.85 -53.88 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -179.653 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -81.35 -46.63 14.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.733 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB2' ' CG ' ' A' ' 12' ' ' TYR . 4.1 mtm-85 -50.97 109.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -128.98 147.11 50.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.009 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.466 0.174 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.71 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -83.0 62.25 6.45 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.211 0.529 . . . . 0.0 111.045 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.694 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER 28.76 -167.76 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 178.34 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 11.38 36.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -178.733 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.775 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -152.32 -63.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.796 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 56.21 -42.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 175.665 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -43.77 -31.14 0.75 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.183 0.516 . . . . 0.0 112.149 -178.916 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 1.002 ' HD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -94.89 -16.65 22.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.148 -178.537 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.002 ' N ' ' HD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 71.45 -52.78 0.69 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -175.288 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -138.08 80.33 0.29 Allowed Glycine 0 C--N 1.334 0.432 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 178.558 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.834 HG12 ' CZ ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -5.18 -86.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.354 0.662 . . . . 0.0 112.655 -178.195 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.593 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 58.4 t80 134.33 -11.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.815 0.846 . . . . 0.0 109.802 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -58.96 -44.58 91.52 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.472 -179.473 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 12.3 mtm180 -64.89 -59.64 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.821 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -54.83 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.699 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 47.4 t80 59.6 41.44 18.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.57 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' CA ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.612 ' N ' ' O ' ' A' ' 8' ' ' TYR . 3.5 mtmp? . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 110.834 -0.061 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.067 ' CZ2' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.64 -44.95 63.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 118.864 -1.134 . . . . 0.0 112.998 -177.511 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.755 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -173.86 -86.72 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.524 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -64.16 62.25 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -177.234 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.825 ' HD3' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 168.87 -55.67 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.064 0.459 . . . . 0.0 112.067 177.736 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.825 ' H ' ' HD3' ' A' ' 5' ' ' ARG . 1.7 p 37.11 71.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.734 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 5' ' ' ARG . 2.4 p90 -144.52 2.25 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 178.307 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -164.77 141.63 6.09 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 122.823 0.449 . . . . 0.0 111.047 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -104.75 124.84 50.1 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.598 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.532 ' C ' ' OH ' ' A' ' 8' ' ' TYR . . . 135.82 -3.69 3.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.801 -179.538 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.067 HG21 ' CZ2' ' A' ' 2' ' ' TRP . 5.4 mt -46.53 172.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.803 0.811 . . . . 0.0 113.088 -177.424 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.815 ' H ' HG22 ' A' ' 11' ' ' ILE . 47.1 t80 -94.55 77.9 3.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.274 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.494 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -93.96 -91.21 0.19 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.131 -179.313 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmt-85 -48.76 -26.32 2.29 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.037 0.446 . . . . 0.0 110.654 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 7.5 mmm-85 -54.99 -25.38 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 179.548 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -25.15 6.38 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.734 -179.568 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.247 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.895 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.729 0.3 . . . . 5.99 110.763 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.851 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -57.48 -80.1 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 114.143 1.164 . . . . 4.54 114.143 -178.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.794 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -121.39 -142.05 0.34 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.201 1.556 . . . . 3.16 115.201 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.697 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -24.83 -34.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.288 1.958 . . . . 2.78 116.288 -175.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.697 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.3 -42.6 11.49 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 119.381 0.991 . . . . 5.26 110.596 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.895 HG23 ' HB2' ' A' ' 1' ' ' LYS . 0.3 OUTLIER 35.14 70.24 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.157 0.503 . . . . 2.44 110.848 178.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.28 14.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.836 0.68 . . . . 2.84 112.836 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 8.3 t80 -139.54 -89.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.982 0.734 . . . . 2.46 112.982 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.571 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 103.54 116.41 0.01 OUTLIER 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.26 1.024 . . . . 4.77 109.159 -177.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.27 -13.98 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.083 -1.056 . . . . 2.3 113.426 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.851 HD13 ' CD1' ' A' ' 2' ' ' TRP . 3.3 mt -47.78 -31.33 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.817 0.309 . . . . 1.88 111.673 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 12.1 t80 60.64 35.24 19.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 4.29 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 1.8 p90 -78.76 -39.38 36.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 5.72 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 6.3 mmt180 -108.98 29.5 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 7.08 110.881 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.9 mmt180 -115.7 30.65 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 5.32 110.844 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 6.05 110.843 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.606 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -82.63 -105.66 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.645 ' HD1' ' H ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.77 -111.77 0.12 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.569 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -66.52 55.23 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HD2' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 175.38 36.92 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.999 177.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -69.98 70.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.77 0.795 . . . . 0.0 109.795 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -145.17 7.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.725 -178.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 2.5 t80 -135.42 -76.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 96.9 128.44 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.993 0.917 . . . . 0.0 110.802 -179.027 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.33 9.77 24.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.729 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.605 HD11 ' HD2' ' A' ' 5' ' ' ARG . 1.6 mp -46.56 -31.96 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 120.945 0.402 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 70.54 20.16 5.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.334 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD2' ' CE2' ' A' ' 2' ' ' TRP . 21.0 p90 -59.85 -52.29 66.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.102 0.477 . . . . 0.0 110.253 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.529 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.0 mmm180 -115.15 -83.31 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.915 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 24.44 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.17 0.588 . . . . 0.0 112.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.333 -0.134 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.787 ' HB3' HG23 ' A' ' 6' ' ' VAL . 5.8 mmtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.4 0.143 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.639 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -53.41 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.674 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.613 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -122.55 -127.12 0.26 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.604 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 14.8 p90 -38.88 -41.97 0.8 Allowed 'General case' 0 C--N 1.341 0.214 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.647 ' NE ' ' HA ' ' A' ' 5' ' ' ARG . 1.2 mmp_? -69.86 -43.17 72.43 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.939 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.787 HG23 ' HB3' ' A' ' 1' ' ' LYS . 1.6 p 22.87 66.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.303 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -153.32 23.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.054 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.748 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -137.62 -94.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.507 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.748 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 3.1 mmt85 -160.38 -61.91 0.06 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 109.433 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -161.3 57.5 0.31 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.826 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.639 ' CG1' ' HB3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.24 -76.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 55.75 24.85 7.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.296 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 14' ' ' ARG . 35.0 p90 -55.93 -24.07 35.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.155 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 1.1 mtt-85 -103.81 -51.37 3.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.518 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.437 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -66.06 -62.85 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.157 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.307 179.498 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.924 ' CB ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CD1' HD13 ' A' ' 11' ' ' ILE . 42.8 p-90 69.69 -14.2 0.36 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.75 ' CD1' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -141.27 -79.39 0.26 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.857 -0.527 . . . . 0.0 110.904 178.251 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -65.07 64.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.609 179.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.674 ' HD2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 170.76 -46.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.718 -178.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 36.65 69.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 122.051 0.929 . . . . 0.0 110.698 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.674 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -152.01 13.45 0.6 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.25 -178.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.564 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 74.6 t80 -159.91 -173.02 3.87 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.356 -176.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -176.43 72.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.586 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.487 ' N ' ' CE2' ' A' ' 8' ' ' TYR . . . -153.58 -21.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.992 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.924 HD11 ' CB ' ' A' ' 1' ' ' LYS . 5.2 mt -35.4 -74.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.602 0.715 . . . . 0.0 112.041 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.484 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 168.05 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.622 -178.791 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -40.61 -37.76 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.654 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.543 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 5.4 ptm180 -65.96 -39.95 90.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.665 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.68 -12.5 61.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.716 0.293 . . . . 0.0 110.668 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.47 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.71 ' N ' HD12 ' A' ' 11' ' ' ILE . 16.2 tttp . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.829 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -117.31 20.36 13.68 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.685 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.08 -150.7 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.622 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -12.91 78.97 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -175.305 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.733 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 155.6 -51.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.603 175.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.806 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 34.73 66.72 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.403 1.096 . . . . 0.0 110.241 -178.288 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.58 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -149.74 11.84 0.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.854 -178.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 42.1 t80 -167.58 -179.83 4.54 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.017 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -151.66 -25.36 0.19 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.603 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -52.38 -4.49 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 120.872 -0.68 . . . . 0.0 114.661 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.829 HD13 ' CD2' ' A' ' 2' ' ' TRP . 76.9 mt -46.82 -54.91 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.429 1.114 . . . . 0.0 110.445 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 65.59 30.91 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.992 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.637 ' CD1' ' HB3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -60.41 -46.12 91.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.986 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -118.46 -19.29 8.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.441 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.477 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -45.16 -75.03 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.634 ' H3 ' HG23 ' A' ' 6' ' ' VAL . 9.1 mptt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.697 0.284 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.718 ' CD1' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -68.43 -103.26 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.662 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.683 ' CE1' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.79 -37.89 0.22 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.48 0.312 . . . . 0.0 111.642 -179.494 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.697 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -123.48 -31.79 3.46 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.809 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.697 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mmp_? -74.54 -60.44 2.27 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.5 p 39.91 29.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.956 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 1.3 p90 -134.39 34.28 3.26 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.695 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -161.74 -78.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.663 -178.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.861 ' HG3' ' H ' ' A' ' 10' ' ' GLY . 8.9 tpp180 115.22 -153.33 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.861 ' H ' ' HG3' ' A' ' 9' ' ' ARG . . . 31.76 7.3 0.0 OUTLIER Glycine 0 CA--C 1.536 1.394 0 N-CA-C 117.92 1.928 . . . . 0.0 117.92 177.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.754 ' N ' ' O ' ' A' ' 9' ' ' ARG . 89.4 mt -65.57 168.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.754 1.777 . . . . 0.0 111.059 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.704 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -47.27 -23.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.236 179.252 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.718 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 1.5 p90 -41.87 -47.84 4.3 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 109.696 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.4 tpt180 -79.69 -28.89 40.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.47 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HB2' ' HA ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -58.1 -31.98 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.342 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.655 -179.425 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.592 ' HB3' HG21 ' A' ' 6' ' ' VAL . 6.7 mmmt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 119.526 -0.273 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.972 ' CE3' ' N ' ' A' ' 3' ' ' TYR 0.284 0.0 OUTLIER -77.7 -102.41 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.58 -1.248 . . . . 0.0 110.853 -179.89 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.972 ' N ' ' CE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -98.42 -122.48 0.14 Allowed 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 179.389 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.656 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -62.53 -70.51 0.2 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -174.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.822 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -68.35 -70.11 0.28 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.304 0.573 . . . . 0.0 109.998 -176.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 63.39 -60.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.296 176.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.755 ' CD1' ' C ' ' A' ' 6' ' ' VAL . 1.8 p90 37.44 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.057 0.455 . . . . 0.0 111.522 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 1.6 t80 -163.74 -177.44 5.16 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.518 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 6.2 ptm180 -102.52 94.02 5.44 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.517 ' C ' ' HE1' ' A' ' 8' ' ' TYR . . . 51.73 84.54 0.02 OUTLIER Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.941 177.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.856 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.4 mp -59.88 -38.15 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.019 0.437 . . . . 0.0 110.631 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 6.1 t80 57.07 24.82 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.444 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.856 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -100.05 5.05 45.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.614 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 -63.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.101 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -52.42 24.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HA ' ' CE1' ' A' ' 12' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.168 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 7.7 mmtt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 110.822 -0.066 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 1.156 ' CD2' HD12 ' A' ' 11' ' ' ILE . 1.3 m-90 -48.49 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.658 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 164.21 -65.26 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.429 -176.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -58.19 53.31 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.264 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.724 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 165.92 -35.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.413 -0.915 . . . . 0.0 113.46 178.502 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.736 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.2 p 25.62 72.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.85 0.833 . . . . 0.0 111.325 -176.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.634 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -171.96 21.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.499 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.666 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 48.4 t80 -165.82 174.39 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.597 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.3 ptt85 -156.0 69.99 0.68 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.514 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.666 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . -155.13 -22.35 0.04 OUTLIER Glycine 0 CA--C 1.527 0.782 0 C-N-CA 120.404 -0.903 . . . . 0.0 114.384 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.156 HD12 ' CD2' ' A' ' 2' ' ' TRP . 5.4 mt -48.16 -43.31 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.047 0.924 . . . . 0.0 110.127 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 47.44 26.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.748 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.64 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -101.4 29.64 4.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.3 0.571 . . . . 0.0 110.829 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -32.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -43.67 -27.65 0.33 Allowed 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.529 0.157 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.575 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.59 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.6 mmmp? . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.694 0.283 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HB3' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 -149.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.595 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.647 ' CD2' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -134.71 -123.99 0.16 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.698 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -32.9 -31.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -176.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.698 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -114.9 -28.3 7.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.993 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.753 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.1 p 35.71 68.02 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.141 0.496 . . . . 0.0 111.559 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.534 ' CZ ' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -133.37 9.04 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.054 -178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 40.1 t80 -131.62 166.63 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.502 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.647 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -125.19 114.83 19.52 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' HE1' ' A' ' 8' ' ' TYR . . . 61.82 91.68 0.02 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.335 -0.848 . . . . 0.0 115.163 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.624 HG13 ' CD1' ' A' ' 8' ' ' TYR . 4.2 mt -112.06 -33.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.255 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.2 t80 63.76 18.92 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.58 -70.72 0.39 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -98.62 27.54 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -23.19 17.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.183 -179.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.784 ' HB3' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.642 0.258 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.931 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 33.22 95.94 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.875 0.87 . . . . 0.0 112.046 -178.136 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.931 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 88.13 -161.54 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 177.115 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' CD2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -14.5 -62.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.286 -1.324 . . . . 0.0 113.364 -179.297 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 4.2 mmp_? -61.9 -59.83 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.153 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.624 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.9 p 37.6 73.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.321 0.582 . . . . 0.0 111.149 178.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -167.64 28.46 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.092 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CD1' ' HD3' ' A' ' 9' ' ' ARG . 5.2 t80 -145.47 -127.21 0.07 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.68 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.67 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 174.42 35.26 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.103 0.411 . . . . 0.0 110.867 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -150.13 -104.35 0.3 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.961 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.784 HD12 ' HB3' ' A' ' 1' ' ' LYS . 1.4 mt 69.87 -49.57 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 122.798 0.439 . . . . 0.0 110.913 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.464 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.4 OUTLIER 76.16 34.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.618 ' CE1' ' HB2' ' A' ' 2' ' ' TRP . 12.8 p90 -68.48 -54.13 18.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.145 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.523 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 44.8 ptt85 -104.57 29.67 5.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.572 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 6.1 mmt180 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 48.2 p90 . . . . . 0 N--CA 1.463 0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.797 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 111.483 0.179 . . . . 0.0 111.483 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.783 ' CE2' ' HE1' ' A' ' 3' ' ' TYR . 1.7 t90 -37.88 95.68 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 123.87 1.795 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.783 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -34.62 -121.2 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 110.084 -3.235 . . . . 0.0 115.177 -178.369 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.688 ' CD2' ' CH2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.63 75.69 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 149.04 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.595 177.586 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.685 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.0 p 36.96 69.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.981 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 5' ' ' ARG . 1.2 p90 -125.85 -13.47 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.362 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.707 ' CD1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -113.56 -81.32 0.6 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 121.295 -0.162 . . . . 0.0 111.359 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.707 ' HB2' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 178.3 -38.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.982 -178.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.491 ' C ' ' CE2' ' A' ' 8' ' ' TYR . . . 163.08 89.8 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.447 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.697 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 1.9 mp -38.62 -81.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.381 0.673 . . . . 0.0 111.81 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.639 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 177.74 35.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.554 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -55.49 -41.08 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.54 15.76 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -124.75 27.57 6.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.419 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 1.034 ' CB ' HD11 ' A' ' 11' ' ' ILE . 12.7 mttp . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 1.05 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -24.94 -37.58 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -176.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.71 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -172.79 -90.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -176.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 32.2 p90 -41.32 -20.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 1.4 mmp_? -107.48 -37.61 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.47 0.577 . . . . 0.0 111.743 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 39.5 68.11 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 121.832 0.825 . . . . 0.0 111.839 178.081 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.603 ' H ' ' N ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -156.15 22.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.546 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' HB3' ' CG ' ' A' ' 1' ' ' LYS . 85.3 t80 -166.38 179.54 5.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.944 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.75 112.85 11.71 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 54.76 88.46 0.01 OUTLIER Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.634 -1.166 . . . . 0.0 114.836 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.05 HD13 ' CE2' ' A' ' 2' ' ' TRP . 3.1 mp -74.26 -40.81 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 12' ' ' TYR . 3.1 t80 63.33 67.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.637 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 11.5 p90 -93.59 -46.39 7.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.753 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -136.94 50.48 2.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 111.357 -179.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.68 37.31 3.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.259 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.759 ' HB3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.516 0.198 . . . . 0.0 110.739 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 1.145 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -50.88 -81.34 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.452 -179.323 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.623 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -127.18 -124.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -178.385 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.55 ' C ' ' HG2' ' A' ' 5' ' ' ARG . 2.6 p90 -45.97 144.11 1.97 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.714 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.55 ' HG2' ' C ' ' A' ' 4' ' ' PHE . 0.8 OUTLIER 84.33 -48.83 0.11 Allowed 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.498 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.807 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.02 67.47 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 122.135 0.969 . . . . 0.0 110.967 178.208 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.417 ' C ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.2 16.99 1.9 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.107 -178.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.817 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -142.43 -118.29 0.1 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.133 -178.005 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.817 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 ppt_? 151.04 -67.78 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.759 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.592 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -64.99 28.57 0.11 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.096 -0.574 . . . . 0.0 114.289 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.145 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.08 -44.03 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 117.677 0.738 . . . . 0.0 111.251 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CD2' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 67.52 12.96 9.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.459 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER 34.7 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.156 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -101.56 -78.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.468 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER 32.36 -89.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.034 0.534 . . . . 0.0 112.391 179.44 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.2 p90 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.923 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.946 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.81 -84.39 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.345 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.653 ' CE1' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -129.41 -123.29 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.529 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.653 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -7.42 -72.13 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.3 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -76.34 -34.92 58.97 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.268 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.68 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.4 p 35.73 68.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.214 0.531 . . . . 0.0 110.767 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 1.9 p90 -143.66 -43.6 0.28 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.843 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 1' ' ' LYS . 15.2 t80 -106.18 154.82 20.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.811 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -112.08 102.36 10.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.12 -95.59 0.14 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 2' ' ' TRP . 4.6 mt 63.97 -45.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 72.79 45.3 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 14' ' ' ARG . 10.4 p90 -77.94 -51.15 10.85 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.737 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -126.97 -23.42 3.64 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 4.3 ptp180 -54.54 -19.99 6.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CE2' ' HA ' ' A' ' 14' ' ' ARG . 27.1 p90 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 111.508 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.643 ' CA ' ' HB ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.719 0.295 . . . . 0.0 111.463 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 1.0 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.35 -60.51 3.69 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 1.047 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -154.51 -113.79 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -174.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.553 ' CE1' ' NE ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -45.69 -7.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -175.22 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.583 ' CZ ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -156.95 34.65 0.3 Allowed 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.612 -179.206 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 1.047 HG13 ' O ' ' A' ' 3' ' ' TYR . 2.8 m -56.61 120.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 113.492 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -147.89 16.57 1.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.064 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.694 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 5.7 t80 -142.15 -93.48 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.694 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 159.15 36.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -179.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.607 ' O ' HD12 ' A' ' 11' ' ' ILE . . . 162.88 -92.68 0.11 Allowed Glycine 0 C--N 1.335 0.518 0 C-N-CA 119.712 -1.232 . . . . 0.0 113.391 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.0 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER 70.86 -63.94 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.237 0.615 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 55.45 29.66 13.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.688 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.848 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -76.91 -36.72 56.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.153 -179.227 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 11.8 ptm180 -136.68 21.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -62.92 1.36 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.642 ' HB2' ' O ' ' A' ' 8' ' ' TYR . 4.0 tttm . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.227 0.084 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.728 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.69 -102.44 0.28 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -179.592 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.728 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -91.57 -98.02 0.12 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 117.122 2.268 . . . . 0.0 117.122 -175.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CE2' ' CG ' ' A' ' 5' ' ' ARG . 8.4 p90 -55.35 -71.24 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.637 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -75.63 -76.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.321 0.509 . . . . 0.0 110.14 -178.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.681 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 50.34 27.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-O 122.007 0.908 . . . . 0.0 110.725 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HD1' ' H ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -42.67 -45.45 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.636 178.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.642 ' O ' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -124.03 -152.73 0.52 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.533 178.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.58 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -127.77 -31.0 2.47 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -177.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 8' ' ' TYR . . . -41.49 -20.78 0.05 OUTLIER Glycine 0 N--CA 1.466 0.64 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.66 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.633 ' CG2' ' HD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -22.51 145.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.763 ' CG ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -84.31 -28.41 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.931 -1.486 . . . . 0.0 107.024 176.465 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.633 ' HD1' ' CG2' ' A' ' 11' ' ' ILE . 10.3 p90 52.78 -70.61 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 113.852 -1.522 . . . . 0.0 114.225 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -105.13 -80.38 0.55 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.005 0.366 . . . . 0.0 111.846 -178.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.763 ' HG2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 25.51 -124.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.285 0.634 . . . . 0.0 112.491 179.123 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.721 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.844 0.354 . . . . 0.0 111.031 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.791 ' HG3' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.721 ' NE1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.22 -81.28 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.187 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.641 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -130.74 -179.12 5.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 p90 23.77 -65.6 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.634 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -73.34 -41.84 62.98 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 119.115 0.871 . . . . 0.0 111.072 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.791 HG23 ' HG3' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 35.92 69.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.488 178.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.76 -1.78 4.22 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -178.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.688 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 3.2 t80 -107.72 -84.35 0.53 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.688 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 154.84 81.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.7 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.83 84.25 0.02 OUTLIER Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.373 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.721 HD13 ' NE1' ' A' ' 2' ' ' TRP . 3.3 mp -60.13 -18.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.536 0.208 . . . . 0.0 111.467 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 68.5 35.52 3.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 9.9 p90 -78.16 -47.38 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -108.01 -21.64 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -49.14 -64.09 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.718 0.294 . . . . 0.0 111.059 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 179.787 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.682 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.638 0.256 . . . . 0.0 111.076 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CD2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 94.33 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.244 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -151.29 -76.56 0.14 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.09 -179.128 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.52 ' CD2' ' HG2' ' A' ' 5' ' ' ARG . 40.9 p90 -47.46 -24.63 0.87 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HB2' ' HB3' ' A' ' 1' ' ' LYS . 1.1 mmp_? -98.85 -41.3 7.69 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.642 0.258 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.782 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 42.25 28.65 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-O 121.356 0.598 . . . . 0.0 111.952 178.135 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 0.6 OUTLIER -117.56 27.87 8.8 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.807 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CD2' ' HA ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -144.89 -80.94 0.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 -179.542 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.623 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.13 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.0 110.001 -178.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.64 87.81 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.082 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.713 ' O ' ' HD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.49 -39.5 79.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.549 -0.826 . . . . 0.0 111.781 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.713 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 31.16 35.78 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.762 0.791 . . . . 0.0 112.181 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ILE . 28.4 p90 -40.72 -45.18 2.35 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.111 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 4.5 ttt-85 -66.84 -61.9 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.88 0.371 . . . . 0.0 110.516 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.617 ' CG ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.67 79.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.452 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.6 t80 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.043 -179.839 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.876 ' CB ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.934 ' CG ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -81.07 -114.14 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.626 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -163.94 -76.77 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.221 0.534 . . . . 0.0 111.861 -179.413 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -49.78 -24.2 2.25 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.165 -178.354 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.984 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -131.79 -39.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.718 0.294 . . . . 0.0 111.305 -179.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.876 HG23 ' CB ' ' A' ' 1' ' ' LYS . 5.3 p 41.1 57.38 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.974 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CZ ' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -125.11 9.81 8.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.467 179.477 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.708 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -135.85 -108.1 0.21 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.45 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 ptm180 150.04 -71.33 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.524 0.602 . . . . 0.0 112.473 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -38.33 -17.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.984 HD11 ' NH1' ' A' ' 5' ' ' ARG . 11.1 mt -35.88 158.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.243 1.021 . . . . 0.0 111.72 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.66 ' CZ ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-30 -85.35 43.18 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.474 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . 19.6 p90 -83.4 -42.92 16.46 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.964 0.412 . . . . 0.0 110.429 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.4 mtp180 -102.03 -54.18 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.504 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.66 ' HD2' ' CZ ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -44.91 -38.27 4.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.068 0.461 . . . . 0.0 111.214 -179.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.8 p90 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.648 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.984 ' HA ' HD11 ' A' ' 11' ' ' ILE . 22.0 mmtt . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HD1' HD13 ' A' ' 11' ' ' ILE . 4.4 p-90 -23.65 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.002 0.521 . . . . 0.0 112.073 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.846 ' HD1' ' H ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.83 -130.24 0.25 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.624 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -20.78 -43.48 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -176.426 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HB2' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -95.23 -36.98 11.23 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.743 1.156 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.786 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 40.71 29.58 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.605 0.717 . . . . 0.0 111.601 177.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -78.07 -20.11 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 9' ' ' ARG . 22.5 t80 -133.73 -70.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.258 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.625 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.7 OUTLIER 92.35 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.74 0.816 . . . . 0.0 111.864 -179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . 94.43 -5.75 70.91 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.882 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.984 HD11 ' HA ' ' A' ' 1' ' ' LYS . 3.8 mp -0.34 -59.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.801 0.84 . . . . 0.0 113.094 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.667 ' N ' ' O ' ' A' ' 10' ' ' GLY . 4.6 t80 110.76 -0.58 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.352 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 5.8 p90 -79.53 -45.07 19.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -96.43 -14.62 22.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.869 178.258 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.585 ' HB3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.53 87.4 6.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.607 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 0.0 111.04 -179.851 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 1.4 mptp? . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.67 0.271 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.879 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -66.62 -105.27 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.815 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -164.72 -145.32 0.08 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.659 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.609 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -0.13 61.71 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -177.806 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.815 ' HG3' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 157.67 -50.98 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.711 0.767 . . . . 0.0 109.931 177.328 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.7 p 40.05 56.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.123 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -112.0 -10.98 13.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.17 178.195 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.701 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -138.72 146.67 41.8 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.257 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.701 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -33.8 -35.26 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 122.802 0.441 . . . . 0.0 112.138 178.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.839 ' O ' HD12 ' A' ' 11' ' ' ILE . . . -160.04 -108.29 0.24 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.012 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.879 HD13 ' CD1' ' A' ' 2' ' ' TRP . 0.6 OUTLIER 179.01 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 77.94 33.06 0.36 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.131 -177.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -73.27 -49.31 28.38 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.248 -179.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -101.81 20.37 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.182 179.866 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -102.57 -71.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.227 179.476 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 1' ' ' LYS . 3.5 ttmm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.23 0.062 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 1.024 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.52 17.17 2.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.568 -0.853 . . . . 0.0 113.089 -179.372 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.784 ' HE1' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.02 -161.55 0.0 OUTLIER 'General case' 0 C--N 1.362 1.128 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 175.555 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' ' CH2' ' A' ' 2' ' ' TRP . 10.9 p90 7.76 -74.99 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -175.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.839 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -70.57 -45.35 65.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.799 1.181 . . . . 0.0 111.622 -178.349 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.5 p 45.07 18.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 179.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.623 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 1.2 p90 -76.49 -17.31 59.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 178.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 9' ' ' ARG . 26.7 t80 -125.44 169.01 12.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.13 -179.001 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -65.54 -150.36 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.687 179.547 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -79.7 54.98 4.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.729 -0.748 . . . . 0.0 114.584 -177.777 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.024 HD13 ' CD2' ' A' ' 2' ' ' TRP . 3.0 mp 21.53 -81.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 178.35 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.603 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.3 t80 170.38 -1.69 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.358 -179.043 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 14' ' ' ARG . 11.1 p90 -44.11 -46.26 8.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -114.92 28.33 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.149 -179.897 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.5 -85.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.796 0.332 . . . . 0.0 111.601 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.997 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.8 tptm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.794 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.71 -55.77 17.63 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.253 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.755 ' N ' HH22 ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.98 -88.28 0.22 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 116.968 2.21 . . . . 0.0 116.968 -175.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.623 ' C ' ' HG3' ' A' ' 5' ' ' ARG . 47.4 p90 -50.29 19.42 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -174.248 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.813 ' NH2' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -168.93 -37.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.521 1.964 . . . . 0.0 113.372 178.513 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.813 ' H ' ' NH2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 37.01 84.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.659 0.742 . . . . 0.0 110.461 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 8.7 p90 -145.43 -0.55 0.85 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.748 -1.115 . . . . 0.0 112.349 -177.781 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.622 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER -137.94 -78.29 0.37 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.665 -177.076 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.766 ' HA ' ' HB3' ' A' ' 1' ' ' LYS . 3.0 ptt180 111.92 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 177.069 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.622 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -58.03 0.63 0.32 Allowed Glycine 0 CA--C 1.53 1.025 0 C-N-CA 119.277 -1.44 . . . . 0.0 113.49 -179.102 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.997 HD12 ' N ' ' A' ' 1' ' ' LYS . 1.0 OUTLIER -59.04 155.07 2.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.134 0 CA-C-N 117.317 0.558 . . . . 0.0 111.125 -179.654 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.48 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.8 t80 -93.57 50.52 1.48 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.624 ' H ' HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -53.29 -117.62 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.629 -177.826 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -25.27 0.68 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.087 179.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 1.9 mtt85 -44.08 -37.62 3.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.529 ' HB2' ' HE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.718 ' NE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -43.65 -44.99 6.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.05 0.841 . . . . 0.0 112.4 -179.532 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.718 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -176.37 -157.54 0.05 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 178.639 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -38.87 148.57 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -178.916 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.567 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 1.9 mmp_? 96.89 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.684 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 24.87 88.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.92 177.118 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.25 13.12 0.57 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.639 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.739 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -128.68 -107.06 0.3 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.437 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 55.9 mtt180 -157.68 -42.87 0.07 Allowed 'General case' 0 C--N 1.343 0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.273 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.14 104.5 0.18 Allowed Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.193 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.679 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 3.1 mp -90.74 -36.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.166 -0.517 . . . . 0.0 111.278 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 72.47 -58.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.693 -178.122 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 12' ' ' TYR . 40.4 p90 52.44 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 112.796 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -153.86 37.7 0.46 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.552 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 2.3 mtm105 -80.18 -47.46 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.595 179.287 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.207 -179.5 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.846 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.312 0.101 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.605 ' CZ3' ' CG ' ' A' ' 3' ' ' TYR . 29.9 p-90 -100.0 -21.73 15.52 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.623 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.63 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.54 -102.2 0.28 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.676 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.663 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -40.51 -27.93 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.73 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.663 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -102.85 -44.79 5.17 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.835 179.775 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.1 p 39.48 71.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.197 0.522 . . . . 0.0 111.382 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.76 ' CE1' ' HG3' ' A' ' 1' ' ' LYS . 0.3 OUTLIER -157.16 14.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.016 -178.855 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -171.57 -35.6 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.582 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.804 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.2 ptt85 52.45 -100.04 0.09 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -177.415 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' ARG . . . 4.43 46.54 0.0 OUTLIER Glycine 0 N--CA 1.467 0.761 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.846 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 18.0 mt -97.93 -64.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.805 0.812 . . . . 0.0 110.516 -179.537 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 169.27 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.184 -178.927 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -38.49 -48.82 1.44 Allowed 'General case' 0 C--N 1.341 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.923 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 8.5 tmm_? -70.04 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.649 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 1.5 ptm85 -79.59 60.17 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 4.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.543 ' HG3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.63 0.252 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 1.114 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -96.48 -119.22 0.12 Allowed 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.496 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 1.114 ' HD1' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.5 -76.3 0.12 Allowed 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.234 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.834 ' CE1' ' CE3' ' A' ' 2' ' ' TRP . 1.1 p90 -57.98 -26.48 62.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.673 177.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.839 ' NE ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -100.03 -43.98 6.17 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.171 -178.241 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.4 p 7.82 52.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.839 ' CD1' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -122.59 -7.06 8.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.276 0.56 . . . . 0.0 109.589 177.536 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.56 ' HE2' ' H ' ' A' ' 11' ' ' ILE . 3.5 t80 -145.39 171.06 15.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.278 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.545 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -120.24 102.58 8.59 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.749 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 -89.67 0.11 Allowed Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.787 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.696 HD13 ' CD1' ' A' ' 2' ' ' TRP . 4.4 mt 45.05 -102.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 122.607 0.363 . . . . 0.0 111.289 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.466 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 172.76 31.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.71 0.29 . . . . 0.0 110.567 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.644 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 40.6 p90 -64.52 -48.87 73.53 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.057 0.456 . . . . 0.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.4 mmt-85 -111.75 36.78 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 23.3 mmt-85 -130.58 30.25 4.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.706 ' HB2' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 1.003 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -89.79 -108.22 0.09 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 118.299 -1.36 . . . . 0.0 113.145 -179.839 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.674 ' CD1' ' CE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -99.5 -97.99 0.23 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.472 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD1' ' CZ3' ' A' ' 2' ' ' TRP . 1.2 p90 -63.8 55.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.213 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.11 ' NH2' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -162.42 -70.33 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.218 -0.301 . . . . 0.0 111.494 177.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.57 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 43.76 4.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -179.733 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.718 ' CE1' ' NH2' ' A' ' 5' ' ' ARG . 2.2 p90 -84.15 3.22 35.95 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.823 -0.548 . . . . 0.0 110.613 178.584 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 1.11 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -165.39 159.22 16.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 123.328 0.651 . . . . 0.0 110.068 179.318 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.706 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 3.0 ptt-85 -125.9 114.78 18.98 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.487 178.614 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.554 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . 155.45 -12.94 0.42 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.463 -1.351 . . . . 0.0 113.529 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.003 HD13 ' CE2' ' A' ' 2' ' ' TRP . 49.6 mt -36.74 -52.84 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 117.266 0.533 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 78.8 t80 68.04 42.65 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.323 179.431 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HB3' ' HD1' ' A' ' 2' ' ' TRP . 21.3 p90 -45.61 -52.23 10.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.767 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 16' ' ' TYR . 9.3 mtt180 -131.96 -77.63 0.51 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.455 179.31 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 mmt85 44.76 -83.57 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.289 0.566 . . . . 0.0 112.079 178.525 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.441 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.629 ' CA ' HG21 ' A' ' 6' ' ' VAL . 3.9 mtpp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.276 0.084 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.609 ' CE3' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.95 -95.71 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.562 -179.273 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.63 ' HD1' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -115.34 -120.91 0.3 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -176.418 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.565 ' CE1' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -60.44 -70.93 0.15 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.778 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.627 ' C ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -83.98 -66.11 0.93 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -178.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.63 HG12 ' HD1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 59.07 -51.59 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.439 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' A' ' 6' ' ' VAL . 0.9 OUTLIER 47.02 8.16 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.905 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -162.36 139.28 8.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.161 0.505 . . . . 0.0 111.57 -178.874 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -81.83 88.08 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.995 178.824 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.523 ' C ' ' CZ ' ' A' ' 8' ' ' TYR . . . 128.6 18.11 1.83 Allowed Glycine 0 C--N 1.337 0.632 0 C-N-CA 119.817 -1.182 . . . . 0.0 114.898 179.016 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.667 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -24.31 -65.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 117.937 0.868 . . . . 0.0 112.341 -178.441 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' O ' ' CD2' ' A' ' 12' ' ' TYR . 53.2 t80 71.57 9.32 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.018 -179.404 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -74.49 -49.88 20.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.212 0.529 . . . . 0.0 110.37 179.695 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.21 -18.68 63.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.843 -179.638 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -58.14 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.511 179.551 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 14' ' ' ARG . 53.0 p90 . . . . . 0 N--CA 1.463 0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.545 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.494 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 13.8 mtmm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.78 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -12.09 79.29 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.471 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER 13.93 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 112.39 -2.186 . . . . 0.0 115.531 176.348 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CZ ' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.84 57.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.092 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 171.05 -46.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.584 0.23 . . . . 0.0 111.114 178.332 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.804 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.7 p 30.68 56.21 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.813 0.816 . . . . 0.0 111.54 -178.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -151.75 23.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.233 179.558 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.63 ' CD2' HG12 ' A' ' 11' ' ' ILE . 48.4 t80 -150.4 176.03 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.29 -177.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.525 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 11.9 ptm180 -124.63 118.51 26.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.739 0.78 . . . . 0.0 112.969 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 42.22 99.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 114.39 -1.277 . . . . 0.0 114.344 178.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.739 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 9.1 mt -86.87 -66.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.101 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.8 t80 85.28 30.83 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 -179.318 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -60.85 -53.88 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -179.653 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -81.35 -46.63 14.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.733 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB2' ' CG ' ' A' ' 12' ' ' TYR . 4.1 mtm-85 -50.97 109.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.009 -179.83 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.466 0.174 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.71 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -83.0 62.25 6.45 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.211 0.529 . . . . 0.0 111.045 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.694 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER 28.76 -167.76 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 178.34 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 11.38 36.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -178.733 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.775 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -152.32 -63.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.796 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 56.21 -42.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 175.665 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -43.77 -31.14 0.75 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.183 0.516 . . . . 0.0 112.149 -178.916 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 1.002 ' HD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -94.89 -16.65 22.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.148 -178.537 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.002 ' N ' ' HD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 71.45 -52.78 0.69 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -175.288 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -138.08 80.33 0.29 Allowed Glycine 0 C--N 1.334 0.432 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 178.558 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.834 HG12 ' CZ ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -5.18 -86.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.354 0.662 . . . . 0.0 112.655 -178.195 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.593 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 58.4 t80 134.33 -11.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.815 0.846 . . . . 0.0 109.802 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -58.96 -44.58 91.52 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.472 -179.473 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 12.3 mtm180 -64.89 -59.64 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.821 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -54.83 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.699 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.408 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 47.4 t80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.57 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.612 ' N ' ' O ' ' A' ' 8' ' ' TYR . 3.5 mtmp? . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 110.834 -0.061 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 1.067 ' CZ2' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.64 -44.95 63.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 118.864 -1.134 . . . . 0.0 112.998 -177.511 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.755 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -173.86 -86.72 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.524 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -64.16 62.25 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -177.234 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.825 ' HD3' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 168.87 -55.67 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.064 0.459 . . . . 0.0 112.067 177.736 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.825 ' H ' ' HD3' ' A' ' 5' ' ' ARG . 1.7 p 37.11 71.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.734 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 5' ' ' ARG . 2.4 p90 -144.52 2.25 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 178.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -164.77 141.63 6.09 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 122.823 0.449 . . . . 0.0 111.047 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -104.75 124.84 50.1 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.598 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.532 ' C ' ' OH ' ' A' ' 8' ' ' TYR . . . 135.82 -3.69 3.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.801 -179.538 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.067 HG21 ' CZ2' ' A' ' 2' ' ' TRP . 5.4 mt -46.53 172.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.803 0.811 . . . . 0.0 113.088 -177.424 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.815 ' H ' HG22 ' A' ' 11' ' ' ILE . 47.1 t80 -94.55 77.9 3.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.274 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.494 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -93.96 -91.21 0.19 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.131 -179.313 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmt-85 -48.76 -26.32 2.29 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.037 0.446 . . . . 0.0 110.654 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 7.5 mmm-85 -54.99 -25.38 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 179.548 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.16 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.895 ' HB2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.729 0.3 . . . . 5.99 110.763 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.851 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -57.48 -80.1 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 114.143 1.164 . . . . 4.54 114.143 -178.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.794 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -121.39 -142.05 0.34 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.201 1.556 . . . . 3.16 115.201 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.697 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -24.83 -34.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.288 1.958 . . . . 2.78 116.288 -175.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.697 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.3 -42.6 11.49 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 119.381 0.991 . . . . 5.26 110.596 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.895 HG23 ' HB2' ' A' ' 1' ' ' LYS . 0.3 OUTLIER 35.14 70.24 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.157 0.503 . . . . 2.44 110.848 178.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.28 14.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.836 0.68 . . . . 2.84 112.836 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 8.3 t80 -139.54 -89.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.982 0.734 . . . . 2.46 112.982 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.571 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 103.54 116.41 0.01 OUTLIER 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.26 1.024 . . . . 4.77 109.159 -177.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.27 -13.98 4.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.083 -1.056 . . . . 2.3 113.426 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.851 HD13 ' CD1' ' A' ' 2' ' ' TRP . 3.3 mt -47.78 -31.33 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.817 0.309 . . . . 1.88 111.673 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 12.1 t80 60.64 35.24 19.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 4.29 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 1.8 p90 -78.76 -39.38 36.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 5.72 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 6.3 mmt180 -108.98 29.5 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 7.08 110.881 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.9 mmt180 -115.7 30.65 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 5.32 110.844 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.43 ' CE2' ' NH2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -62.68 129.89 42.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 6.05 110.843 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' NH2' ' CE2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.238 -0.887 . . . . 6.68 110.9 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.606 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -82.63 -105.66 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.645 ' HD1' ' H ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.77 -111.77 0.12 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.569 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -66.52 55.23 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HD2' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 175.38 36.92 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.999 177.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -69.98 70.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.77 0.795 . . . . 0.0 109.795 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -145.17 7.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.725 -178.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 2.5 t80 -135.42 -76.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 96.9 128.44 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.993 0.917 . . . . 0.0 110.802 -179.027 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.33 9.77 24.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.729 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.605 HD11 ' HD2' ' A' ' 5' ' ' ARG . 1.6 mp -46.56 -31.96 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 120.945 0.402 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 70.54 20.16 5.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.334 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD2' ' CE2' ' A' ' 2' ' ' TRP . 21.0 p90 -59.85 -52.29 66.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.102 0.477 . . . . 0.0 110.253 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.529 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.0 mmm180 -115.15 -83.31 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.915 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 24.44 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.17 0.588 . . . . 0.0 112.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER 57.69 166.93 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.787 ' HB3' HG23 ' A' ' 6' ' ' VAL . 5.8 mmtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.4 0.143 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.639 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -53.41 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.674 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.613 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -122.55 -127.12 0.26 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.604 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 14.8 p90 -38.88 -41.97 0.8 Allowed 'General case' 0 C--N 1.341 0.214 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.647 ' NE ' ' HA ' ' A' ' 5' ' ' ARG . 1.2 mmp_? -69.86 -43.17 72.43 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.939 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.787 HG23 ' HB3' ' A' ' 1' ' ' LYS . 1.6 p 22.87 66.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.303 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -153.32 23.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.054 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.748 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -137.62 -94.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.507 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.748 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 3.1 mmt85 -160.38 -61.91 0.06 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 109.433 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -161.3 57.5 0.31 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.826 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.639 ' CG1' ' HB3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.24 -76.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 55.75 24.85 7.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.296 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 14' ' ' ARG . 35.0 p90 -55.93 -24.07 35.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.155 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 1.1 mtt-85 -103.81 -51.37 3.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.518 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -66.06 -62.85 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.157 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 60.54 119.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.307 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.857 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.924 ' CB ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CD1' HD13 ' A' ' 11' ' ' ILE . 42.8 p-90 69.69 -14.2 0.36 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.75 ' CD1' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -141.27 -79.39 0.26 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.857 -0.527 . . . . 0.0 110.904 178.251 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -65.07 64.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.609 179.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.674 ' HD2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 170.76 -46.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.718 -178.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 36.65 69.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 122.051 0.929 . . . . 0.0 110.698 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.674 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -152.01 13.45 0.6 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.25 -178.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.564 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 74.6 t80 -159.91 -173.02 3.87 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.356 -176.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -176.43 72.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.586 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.487 ' N ' ' CE2' ' A' ' 8' ' ' TYR . . . -153.58 -21.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.992 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.924 HD11 ' CB ' ' A' ' 1' ' ' LYS . 5.2 mt -35.4 -74.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.602 0.715 . . . . 0.0 112.041 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.484 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 168.05 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.622 -178.791 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -40.61 -37.76 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.654 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 5.4 ptm180 -65.96 -39.95 90.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.665 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.68 -12.5 61.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.716 0.293 . . . . 0.0 110.668 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -46.93 171.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.47 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.941 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.71 ' N ' HD12 ' A' ' 11' ' ' ILE . 16.2 tttp . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.829 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -117.31 20.36 13.68 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.685 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.08 -150.7 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.622 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -12.91 78.97 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -175.305 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.733 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 155.6 -51.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.603 175.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.806 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 34.73 66.72 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 122.403 1.096 . . . . 0.0 110.241 -178.288 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.58 ' CD1' ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -149.74 11.84 0.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.854 -178.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 42.1 t80 -167.58 -179.83 4.54 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.017 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -151.66 -25.36 0.19 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -179.044 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.603 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -52.38 -4.49 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 120.872 -0.68 . . . . 0.0 114.661 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.829 HD13 ' CD2' ' A' ' 2' ' ' TRP . 76.9 mt -46.82 -54.91 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.429 1.114 . . . . 0.0 110.445 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 65.59 30.91 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.992 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.637 ' CD1' ' HB3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -60.41 -46.12 91.14 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.986 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -118.46 -19.29 8.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.441 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.477 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -45.16 -75.03 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 68.11 -66.64 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.634 ' H3 ' HG23 ' A' ' 6' ' ' VAL . 9.1 mptt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.697 0.284 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.718 ' CD1' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -68.43 -103.26 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.662 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.683 ' CE1' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.79 -37.89 0.22 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.48 0.312 . . . . 0.0 111.642 -179.494 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.697 ' CE1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -123.48 -31.79 3.46 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.809 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.697 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mmp_? -74.54 -60.44 2.27 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.5 p 39.91 29.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.956 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 1.3 p90 -134.39 34.28 3.26 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.695 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -161.74 -78.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.663 -178.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.861 ' HG3' ' H ' ' A' ' 10' ' ' GLY . 8.9 tpp180 115.22 -153.33 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.861 ' H ' ' HG3' ' A' ' 9' ' ' ARG . . . 31.76 7.3 0.0 OUTLIER Glycine 0 CA--C 1.536 1.394 0 N-CA-C 117.92 1.928 . . . . 0.0 117.92 177.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.754 ' N ' ' O ' ' A' ' 9' ' ' ARG . 89.4 mt -65.57 168.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 119.754 1.777 . . . . 0.0 111.059 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.704 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -47.27 -23.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.236 179.252 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.718 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 1.5 p90 -41.87 -47.84 4.3 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 109.696 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 10.4 tpt180 -79.69 -28.89 40.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.47 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HB2' ' HA ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -58.1 -31.98 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.342 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -45.52 150.15 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.655 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.592 ' HB3' HG21 ' A' ' 6' ' ' VAL . 6.7 mmmt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 119.526 -0.273 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.972 ' CE3' ' N ' ' A' ' 3' ' ' TYR 0.284 0.0 OUTLIER -77.7 -102.41 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.58 -1.248 . . . . 0.0 110.853 -179.89 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.972 ' N ' ' CE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -98.42 -122.48 0.14 Allowed 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 179.389 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.656 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -62.53 -70.51 0.2 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -174.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.822 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -68.35 -70.11 0.28 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.304 0.573 . . . . 0.0 109.998 -176.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 63.39 -60.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.296 176.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.755 ' CD1' ' C ' ' A' ' 6' ' ' VAL . 1.8 p90 37.44 25.03 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.057 0.455 . . . . 0.0 111.522 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 1.6 t80 -163.74 -177.44 5.16 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.518 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 6.2 ptm180 -102.52 94.02 5.44 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.517 ' C ' ' HE1' ' A' ' 8' ' ' TYR . . . 51.73 84.54 0.02 OUTLIER Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.941 177.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.856 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.4 mp -59.88 -38.15 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.019 0.437 . . . . 0.0 110.631 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 16' ' ' TYR . 6.1 t80 57.07 24.82 10.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.444 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.856 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -100.05 5.05 45.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.614 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 -63.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.101 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -52.42 24.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HA ' ' CE1' ' A' ' 12' ' ' TYR . 0.6 OUTLIER 57.01 166.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.168 179.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.92 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 7.7 mmtt . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 110.822 -0.066 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.156 ' CD2' HD12 ' A' ' 11' ' ' ILE . 1.3 m-90 -48.49 -86.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.658 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 164.21 -65.26 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.429 -176.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -58.19 53.31 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.264 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.724 ' CZ ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 165.92 -35.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.413 -0.915 . . . . 0.0 113.46 178.502 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.736 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.2 p 25.62 72.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.85 0.833 . . . . 0.0 111.325 -176.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.634 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -171.96 21.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.499 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.666 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 48.4 t80 -165.82 174.39 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.597 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.3 ptt85 -156.0 69.99 0.68 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.514 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.666 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . -155.13 -22.35 0.04 OUTLIER Glycine 0 CA--C 1.527 0.782 0 C-N-CA 120.404 -0.903 . . . . 0.0 114.384 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.156 HD12 ' CD2' ' A' ' 2' ' ' TRP . 5.4 mt -48.16 -43.31 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.047 0.924 . . . . 0.0 110.127 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 47.44 26.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.748 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.64 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -101.4 29.64 4.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.3 0.571 . . . . 0.0 110.829 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -32.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -43.67 -27.65 0.33 Allowed 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -41.92 -31.88 0.38 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.575 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.818 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.59 ' HB2' HG23 ' A' ' 6' ' ' VAL . 1.6 mmmp? . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.694 0.283 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HB3' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 -149.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.595 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.647 ' CD2' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -134.71 -123.99 0.16 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.698 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -32.9 -31.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -176.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.698 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -114.9 -28.3 7.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.993 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.753 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.1 p 35.71 68.02 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.141 0.496 . . . . 0.0 111.559 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.534 ' CZ ' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -133.37 9.04 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.054 -178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 40.1 t80 -131.62 166.63 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.502 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.647 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -125.19 114.83 19.52 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' HE1' ' A' ' 8' ' ' TYR . . . 61.82 91.68 0.02 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.335 -0.848 . . . . 0.0 115.163 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.624 HG13 ' CD1' ' A' ' 8' ' ' TYR . 4.2 mt -112.06 -33.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.255 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.2 t80 63.76 18.92 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.58 -70.72 0.39 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -98.62 27.54 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -23.19 17.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -47.33 -36.16 9.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.183 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' N ' ' CD ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.784 ' HB3' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.642 0.258 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.931 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 33.22 95.94 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.875 0.87 . . . . 0.0 112.046 -178.136 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.931 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 88.13 -161.54 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 177.115 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' CD2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -14.5 -62.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.286 -1.324 . . . . 0.0 113.364 -179.297 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 4.2 mmp_? -61.9 -59.83 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.153 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.624 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.9 p 37.6 73.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.321 0.582 . . . . 0.0 111.149 178.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -167.64 28.46 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.092 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CD1' ' HD3' ' A' ' 9' ' ' ARG . 5.2 t80 -145.47 -127.21 0.07 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.68 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.67 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 174.42 35.26 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.103 0.411 . . . . 0.0 110.867 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -150.13 -104.35 0.3 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.961 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.784 HD12 ' HB3' ' A' ' 1' ' ' LYS . 1.4 mt 69.87 -49.57 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 122.798 0.439 . . . . 0.0 110.913 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.464 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.4 OUTLIER 76.16 34.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.618 ' CE1' ' HB2' ' A' ' 2' ' ' TRP . 12.8 p90 -68.48 -54.13 18.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.145 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.523 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 44.8 ptt85 -104.57 29.67 5.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.572 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 6.1 mmt180 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 48.2 p90 41.58 51.1 3.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.797 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.834 179.788 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 111.483 0.179 . . . . 0.0 111.483 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.783 ' CE2' ' HE1' ' A' ' 3' ' ' TYR . 1.7 t90 -37.88 95.68 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 123.87 1.795 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.783 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -34.62 -121.2 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 110.084 -3.235 . . . . 0.0 115.177 -178.369 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.688 ' CD2' ' CH2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -25.63 75.69 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 149.04 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.595 177.586 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.685 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.0 p 36.96 69.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.981 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 5' ' ' ARG . 1.2 p90 -125.85 -13.47 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.362 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.707 ' CD1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -113.56 -81.32 0.6 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 121.295 -0.162 . . . . 0.0 111.359 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.707 ' HB2' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 178.3 -38.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.923 0.392 . . . . 0.0 110.982 -178.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.491 ' C ' ' CE2' ' A' ' 8' ' ' TYR . . . 163.08 89.8 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.447 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.697 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 1.9 mp -38.62 -81.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.381 0.673 . . . . 0.0 111.81 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.639 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 177.74 35.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.554 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -55.49 -41.08 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.54 15.76 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -124.75 27.57 6.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.419 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.72 171.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 1.034 ' CB ' HD11 ' A' ' 11' ' ' ILE . 12.7 mttp . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.05 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -24.94 -37.58 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -176.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.71 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -172.79 -90.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -176.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 32.2 p90 -41.32 -20.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 1.4 mmp_? -107.48 -37.61 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.47 0.577 . . . . 0.0 111.743 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 39.5 68.11 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 121.832 0.825 . . . . 0.0 111.839 178.081 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.603 ' H ' ' N ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -156.15 22.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.546 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' HB3' ' CG ' ' A' ' 1' ' ' LYS . 85.3 t80 -166.38 179.54 5.53 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.944 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.75 112.85 11.71 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 54.76 88.46 0.01 OUTLIER Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.634 -1.166 . . . . 0.0 114.836 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.05 HD13 ' CE2' ' A' ' 2' ' ' TRP . 3.1 mp -74.26 -40.81 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 12' ' ' TYR . 3.1 t80 63.33 67.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.637 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 11.5 p90 -93.59 -46.39 7.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.753 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -136.94 50.48 2.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 111.357 -179.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.68 37.31 3.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -85.42 53.84 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.259 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.978 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.759 ' HB3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.516 0.198 . . . . 0.0 110.739 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.145 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -50.88 -81.34 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.452 -179.323 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.623 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -127.18 -124.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -178.385 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.55 ' C ' ' HG2' ' A' ' 5' ' ' ARG . 2.6 p90 -45.97 144.11 1.97 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.714 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' HG2' ' C ' ' A' ' 4' ' ' PHE . 0.8 OUTLIER 84.33 -48.83 0.11 Allowed 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.498 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.807 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.02 67.47 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 122.135 0.969 . . . . 0.0 110.967 178.208 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.417 ' C ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.2 16.99 1.9 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.107 -178.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.817 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -142.43 -118.29 0.1 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.133 -178.005 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.817 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 1.7 ppt_? 151.04 -67.78 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.759 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.592 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -64.99 28.57 0.11 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.096 -0.574 . . . . 0.0 114.289 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.145 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.08 -44.03 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 117.677 0.738 . . . . 0.0 111.251 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' CD2' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 67.52 12.96 9.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.459 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER 34.7 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.156 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -101.56 -78.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER 32.36 -89.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.034 0.534 . . . . 0.0 112.391 179.44 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.2 p90 38.06 34.25 0.06 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.923 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.11 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.946 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -62.81 -84.39 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.345 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.653 ' CE1' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -129.41 -123.29 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.529 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.653 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -7.42 -72.13 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.3 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -76.34 -34.92 58.97 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -177.268 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.68 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.4 p 35.73 68.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.214 0.531 . . . . 0.0 110.767 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 1.9 p90 -143.66 -43.6 0.28 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.843 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 1' ' ' LYS . 15.2 t80 -106.18 154.82 20.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.811 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -112.08 102.36 10.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.12 -95.59 0.14 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 2' ' ' TRP . 4.6 mt 63.97 -45.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 72.79 45.3 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 14' ' ' ARG . 10.4 p90 -77.94 -51.15 10.85 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.737 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -126.97 -23.42 3.64 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HG3' ' CD1' ' A' ' 12' ' ' TYR . 4.3 ptp180 -54.54 -19.99 6.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CE2' ' HA ' ' A' ' 14' ' ' ARG . 27.1 p90 -45.14 135.04 5.83 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 111.508 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.806 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.643 ' CA ' ' HB ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.719 0.295 . . . . 0.0 111.463 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.0 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.35 -60.51 3.69 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.047 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -154.51 -113.79 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -174.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.553 ' CE1' ' NE ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -45.69 -7.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -175.22 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.583 ' CZ ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -156.95 34.65 0.3 Allowed 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.612 -179.206 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.047 HG13 ' O ' ' A' ' 3' ' ' TYR . 2.8 m -56.61 120.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 113.492 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -147.89 16.57 1.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.064 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.694 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 5.7 t80 -142.15 -93.48 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.694 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 159.15 36.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -179.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.607 ' O ' HD12 ' A' ' 11' ' ' ILE . . . 162.88 -92.68 0.11 Allowed Glycine 0 C--N 1.335 0.518 0 C-N-CA 119.712 -1.232 . . . . 0.0 113.391 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.0 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER 70.86 -63.94 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.237 0.615 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 55.45 29.66 13.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.688 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.848 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -76.91 -36.72 56.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.153 -179.227 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 11.8 ptm180 -136.68 21.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -62.92 1.36 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 57.22 -158.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.054 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.642 ' HB2' ' O ' ' A' ' 8' ' ' TYR . 4.0 tttm . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 111.227 0.084 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.728 ' CE2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.69 -102.44 0.28 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -179.592 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.728 ' CE1' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -91.57 -98.02 0.12 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 117.122 2.268 . . . . 0.0 117.122 -175.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CE2' ' CG ' ' A' ' 5' ' ' ARG . 8.4 p90 -55.35 -71.24 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.637 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -75.63 -76.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.321 0.509 . . . . 0.0 110.14 -178.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.681 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 50.34 27.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-O 122.007 0.908 . . . . 0.0 110.725 178.635 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HD1' ' H ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -42.67 -45.45 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.636 178.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.642 ' O ' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -124.03 -152.73 0.52 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.533 178.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.58 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -127.77 -31.0 2.47 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -177.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 8' ' ' TYR . . . -41.49 -20.78 0.05 OUTLIER Glycine 0 N--CA 1.466 0.64 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.66 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.633 ' CG2' ' HD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -22.51 145.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -179.707 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.763 ' CG ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -84.31 -28.41 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.931 -1.486 . . . . 0.0 107.024 176.465 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.633 ' HD1' ' CG2' ' A' ' 11' ' ' ILE . 10.3 p90 52.78 -70.61 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 113.852 -1.522 . . . . 0.0 114.225 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -105.13 -80.38 0.55 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.005 0.366 . . . . 0.0 111.846 -178.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.763 ' HG2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 25.51 -124.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.285 0.634 . . . . 0.0 112.491 179.123 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.721 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 71.25 -70.71 0.15 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.844 0.354 . . . . 0.0 111.031 179.212 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.791 ' HG3' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.721 ' NE1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.22 -81.28 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.187 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.641 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -130.74 -179.12 5.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HG2' ' A' ' 5' ' ' ARG . 2.8 p90 23.77 -65.6 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.634 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -73.34 -41.84 62.98 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 119.115 0.871 . . . . 0.0 111.072 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.791 HG23 ' HG3' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 35.92 69.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.488 178.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.76 -1.78 4.22 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -178.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.688 ' CD2' ' N ' ' A' ' 9' ' ' ARG . 3.2 t80 -107.72 -84.35 0.53 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 154.84 81.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.7 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.83 84.25 0.02 OUTLIER Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.373 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.721 HD13 ' NE1' ' A' ' 2' ' ' TRP . 3.3 mp -60.13 -18.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.536 0.208 . . . . 0.0 111.467 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 68.5 35.52 3.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 9.9 p90 -78.16 -47.38 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -108.01 -21.64 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -49.14 -64.09 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.718 0.294 . . . . 0.0 111.059 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 63.19 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.682 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.638 0.256 . . . . 0.0 111.076 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.745 ' CD2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 94.33 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.244 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' CD2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -151.29 -76.56 0.14 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.09 -179.128 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.52 ' CD2' ' HG2' ' A' ' 5' ' ' ARG . 40.9 p90 -47.46 -24.63 0.87 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HB2' ' HB3' ' A' ' 1' ' ' LYS . 1.1 mmp_? -98.85 -41.3 7.69 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.642 0.258 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.782 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 42.25 28.65 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-O 121.356 0.598 . . . . 0.0 111.952 178.135 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 0.6 OUTLIER -117.56 27.87 8.8 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.807 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.631 ' CD2' ' HA ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -144.89 -80.94 0.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.135 -179.542 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.623 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.13 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.0 110.001 -178.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.64 87.81 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.082 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.713 ' O ' ' HD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.49 -39.5 79.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.549 -0.826 . . . . 0.0 111.781 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.713 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 31.16 35.78 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.762 0.791 . . . . 0.0 112.181 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' ILE . 28.4 p90 -40.72 -45.18 2.35 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.111 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 4.5 ttt-85 -66.84 -61.9 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.88 0.371 . . . . 0.0 110.516 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.617 ' CG ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -69.67 79.66 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.452 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -95.18 67.45 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.043 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.876 ' CB ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.934 ' CG ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -81.07 -114.14 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.626 ' HE1' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -163.94 -76.77 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.221 0.534 . . . . 0.0 111.861 -179.413 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -49.78 -24.2 2.25 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.165 -178.354 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.984 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -131.79 -39.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.718 0.294 . . . . 0.0 111.305 -179.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.876 HG23 ' CB ' ' A' ' 1' ' ' LYS . 5.3 p 41.1 57.38 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.974 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CZ ' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -125.11 9.81 8.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.467 179.477 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.708 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -135.85 -108.1 0.21 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.45 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 ptm180 150.04 -71.33 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.524 0.602 . . . . 0.0 112.473 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' CE1' ' A' ' 8' ' ' TYR . . . -38.33 -17.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.984 HD11 ' NH1' ' A' ' 5' ' ' ARG . 11.1 mt -35.88 158.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.243 1.021 . . . . 0.0 111.72 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.66 ' CZ ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-30 -85.35 43.18 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . 19.6 p90 -83.4 -42.92 16.46 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.964 0.412 . . . . 0.0 110.429 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.4 mtp180 -102.03 -54.18 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.504 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.66 ' HD2' ' CZ ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -44.91 -38.27 4.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.068 0.461 . . . . 0.0 111.214 -179.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 4.8 p90 -27.36 -46.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.648 -178.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.606 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.984 ' HA ' HD11 ' A' ' 11' ' ' ILE . 22.0 mmtt . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HD1' HD13 ' A' ' 11' ' ' ILE . 4.4 p-90 -23.65 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.002 0.521 . . . . 0.0 112.073 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.846 ' HD1' ' H ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.83 -130.24 0.25 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.624 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -20.78 -43.48 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -176.426 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HB2' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -95.23 -36.98 11.23 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.743 1.156 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.786 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 40.71 29.58 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.605 0.717 . . . . 0.0 111.601 177.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -78.07 -20.11 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 9' ' ' ARG . 22.5 t80 -133.73 -70.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.258 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.625 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.7 OUTLIER 92.35 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.74 0.816 . . . . 0.0 111.864 -179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . 94.43 -5.75 70.91 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.882 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.984 HD11 ' HA ' ' A' ' 1' ' ' LYS . 3.8 mp -0.34 -59.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.801 0.84 . . . . 0.0 113.094 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.667 ' N ' ' O ' ' A' ' 10' ' ' GLY . 4.6 t80 110.76 -0.58 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.352 -178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CE2' ' HG2' ' A' ' 14' ' ' ARG . 5.8 p90 -79.53 -45.07 19.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -96.43 -14.62 22.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.869 178.258 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.585 ' HB3' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.53 87.4 6.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.607 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -100.69 144.17 29.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 0.0 111.04 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.99 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 1.4 mptp? . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.67 0.271 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.879 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -66.62 -105.27 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.815 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -164.72 -145.32 0.08 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.659 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' CE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -0.13 61.71 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -177.806 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.815 ' HG3' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 157.67 -50.98 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.711 0.767 . . . . 0.0 109.931 177.328 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.7 p 40.05 56.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.123 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -112.0 -10.98 13.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.17 178.195 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.701 ' CD1' ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -138.72 146.67 41.8 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.257 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.701 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -33.8 -35.26 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 122.802 0.441 . . . . 0.0 112.138 178.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.839 ' O ' HD12 ' A' ' 11' ' ' ILE . . . -160.04 -108.29 0.24 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.012 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.879 HD13 ' CD1' ' A' ' 2' ' ' TRP . 0.6 OUTLIER 179.01 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER 77.94 33.06 0.36 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.131 -177.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -73.27 -49.31 28.38 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.248 -179.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -101.81 20.37 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.182 179.866 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -102.57 -71.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.227 179.476 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 51.01 99.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 1' ' ' LYS . 3.5 ttmm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.23 0.062 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.024 ' CD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.52 17.17 2.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.568 -0.853 . . . . 0.0 113.089 -179.372 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.784 ' HE1' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 125.02 -161.55 0.0 OUTLIER 'General case' 0 C--N 1.362 1.128 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 175.555 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' CE1' ' CH2' ' A' ' 2' ' ' TRP . 10.9 p90 7.76 -74.99 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -175.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.839 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -70.57 -45.35 65.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.799 1.181 . . . . 0.0 111.622 -178.349 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.5 p 45.07 18.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 179.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.623 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 1.2 p90 -76.49 -17.31 59.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.182 0.515 . . . . 0.0 109.972 178.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 9' ' ' ARG . 26.7 t80 -125.44 169.01 12.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.13 -179.001 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -65.54 -150.36 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.687 179.547 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -79.7 54.98 4.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.729 -0.748 . . . . 0.0 114.584 -177.777 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.024 HD13 ' CD2' ' A' ' 2' ' ' TRP . 3.0 mp 21.53 -81.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 178.35 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.603 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.3 t80 170.38 -1.69 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.358 -179.043 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 14' ' ' ARG . 11.1 p90 -44.11 -46.26 8.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -114.92 28.33 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.149 -179.897 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -81.5 -85.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 44.79 30.97 0.6 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.796 0.332 . . . . 0.0 111.601 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.023 179.891 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.997 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.8 tptm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.794 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.71 -55.77 17.63 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.253 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.755 ' N ' HH22 ' A' ' 5' ' ' ARG . 0.0 OUTLIER -138.98 -88.28 0.22 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 116.968 2.21 . . . . 0.0 116.968 -175.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.623 ' C ' ' HG3' ' A' ' 5' ' ' ARG . 47.4 p90 -50.29 19.42 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -174.248 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.813 ' NH2' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -168.93 -37.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.521 1.964 . . . . 0.0 113.372 178.513 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.813 ' H ' ' NH2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 37.01 84.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.659 0.742 . . . . 0.0 110.461 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CE1' ' HD2' ' A' ' 5' ' ' ARG . 8.7 p90 -145.43 -0.55 0.85 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.748 -1.115 . . . . 0.0 112.349 -177.781 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.622 ' CZ ' ' CA ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER -137.94 -78.29 0.37 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.665 -177.076 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.766 ' HA ' ' HB3' ' A' ' 1' ' ' LYS . 3.0 ptt180 111.92 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 177.069 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.622 ' CA ' ' CZ ' ' A' ' 8' ' ' TYR . . . -58.03 0.63 0.32 Allowed Glycine 0 CA--C 1.53 1.025 0 C-N-CA 119.277 -1.44 . . . . 0.0 113.49 -179.102 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.997 HD12 ' N ' ' A' ' 1' ' ' LYS . 1.0 OUTLIER -59.04 155.07 2.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.134 0 CA-C-N 117.317 0.558 . . . . 0.0 111.125 -179.654 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.48 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.8 t80 -93.57 50.52 1.48 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.624 ' H ' HG22 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -53.29 -117.62 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.629 -177.826 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -25.27 0.68 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.087 179.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 1.9 mtt85 -44.08 -37.62 3.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.37 131.47 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.529 ' HB2' ' HE3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.718 ' NE1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -43.65 -44.99 6.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.05 0.841 . . . . 0.0 112.4 -179.532 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.718 ' CE1' ' NE1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -176.37 -157.54 0.05 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 178.639 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -38.87 148.57 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -178.916 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.567 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 1.9 mmp_? 96.89 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.684 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 24.87 88.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.92 177.118 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.25 13.12 0.57 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.639 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.739 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -128.68 -107.06 0.3 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.437 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 55.9 mtt180 -157.68 -42.87 0.07 Allowed 'General case' 0 C--N 1.343 0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.273 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.14 104.5 0.18 Allowed Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.193 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.679 ' CD1' ' CD2' ' A' ' 2' ' ' TRP . 3.1 mp -90.74 -36.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.166 -0.517 . . . . 0.0 111.278 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 72.47 -58.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.693 -178.122 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 12' ' ' TYR . 40.4 p90 52.44 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 112.796 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -153.86 37.7 0.46 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.552 ' HG3' ' HA ' ' A' ' 12' ' ' TYR . 2.3 mtm105 -80.18 -47.46 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.595 179.287 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -45.28 -70.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.207 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.883 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.846 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.312 0.101 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.605 ' CZ3' ' CG ' ' A' ' 3' ' ' TYR . 29.9 p-90 -100.0 -21.73 15.52 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.623 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.63 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.54 -102.2 0.28 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.676 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.663 ' CD1' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -40.51 -27.93 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.73 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.663 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -102.85 -44.79 5.17 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.835 179.775 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 6' ' ' VAL . 2.1 p 39.48 71.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.197 0.522 . . . . 0.0 111.382 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.76 ' CE1' ' HG3' ' A' ' 1' ' ' LYS . 0.3 OUTLIER -157.16 14.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.016 -178.855 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -171.57 -35.6 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.582 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.804 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.2 ptt85 52.45 -100.04 0.09 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -177.415 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' ARG . . . 4.43 46.54 0.0 OUTLIER Glycine 0 N--CA 1.467 0.761 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.846 ' CD1' ' HB2' ' A' ' 1' ' ' LYS . 18.0 mt -97.93 -64.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.805 0.812 . . . . 0.0 110.516 -179.537 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 169.27 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.184 -178.927 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 14.4 p90 -38.49 -48.82 1.44 Allowed 'General case' 0 C--N 1.341 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.923 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 8.5 tmm_? -70.04 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.649 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 1.5 ptm85 -79.59 60.17 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.423 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 4.0 p90 -94.12 121.69 35.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.543 ' HG3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.63 0.252 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.114 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -96.48 -119.22 0.12 Allowed 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.496 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.114 ' HD1' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.5 -76.3 0.12 Allowed 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.234 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.834 ' CE1' ' CE3' ' A' ' 2' ' ' TRP . 1.1 p90 -57.98 -26.48 62.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.673 177.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.839 ' NE ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -100.03 -43.98 6.17 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.171 -178.241 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.4 p 7.82 52.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.839 ' CD1' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -122.59 -7.06 8.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.276 0.56 . . . . 0.0 109.589 177.536 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.56 ' HE2' ' H ' ' A' ' 11' ' ' ILE . 3.5 t80 -145.39 171.06 15.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.278 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -120.24 102.58 8.59 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.749 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 -89.67 0.11 Allowed Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.787 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.696 HD13 ' CD1' ' A' ' 2' ' ' TRP . 4.4 mt 45.05 -102.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 122.607 0.363 . . . . 0.0 111.289 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.466 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER 172.76 31.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.71 0.29 . . . . 0.0 110.567 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.644 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 40.6 p90 -64.52 -48.87 73.53 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.057 0.456 . . . . 0.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 30.4 mmt-85 -111.75 36.78 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 23.3 mmt-85 -130.58 30.25 4.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.55 77.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.706 ' HB2' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.003 ' CE2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -89.79 -108.22 0.09 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 118.299 -1.36 . . . . 0.0 113.145 -179.839 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.674 ' CD1' ' CE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -99.5 -97.99 0.23 Allowed 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.472 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD1' ' CZ3' ' A' ' 2' ' ' TRP . 1.2 p90 -63.8 55.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.213 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.11 ' NH2' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -162.42 -70.33 0.05 Allowed 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.218 -0.301 . . . . 0.0 111.494 177.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.57 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 43.76 4.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -179.733 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.718 ' CE1' ' NH2' ' A' ' 5' ' ' ARG . 2.2 p90 -84.15 3.22 35.95 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.823 -0.548 . . . . 0.0 110.613 178.584 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 1.11 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -165.39 159.22 16.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 123.328 0.651 . . . . 0.0 110.068 179.318 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.706 ' HA ' ' HB2' ' A' ' 1' ' ' LYS . 3.0 ptt-85 -125.9 114.78 18.98 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.487 178.614 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.554 ' HA3' ' OH ' ' A' ' 8' ' ' TYR . . . 155.45 -12.94 0.42 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.463 -1.351 . . . . 0.0 113.529 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.003 HD13 ' CE2' ' A' ' 2' ' ' TRP . 49.6 mt -36.74 -52.84 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 117.266 0.533 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 78.8 t80 68.04 42.65 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.323 179.431 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HB3' ' HD1' ' A' ' 2' ' ' TRP . 21.3 p90 -45.61 -52.23 10.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.767 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 16' ' ' TYR . 9.3 mtt180 -131.96 -77.63 0.51 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.455 179.31 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 mmt85 44.76 -83.57 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.289 0.566 . . . . 0.0 112.079 178.525 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.0 p90 40.73 32.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.441 -179.086 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.629 ' CA ' HG21 ' A' ' 6' ' ' VAL . 3.9 mtpp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.276 0.084 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.609 ' CE3' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.95 -95.71 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.562 -179.273 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.63 ' HD1' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -115.34 -120.91 0.3 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -176.418 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.565 ' CE1' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -60.44 -70.93 0.15 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.778 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.627 ' C ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -83.98 -66.11 0.93 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -178.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.63 HG12 ' HD1' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 59.07 -51.59 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.439 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' A' ' 6' ' ' VAL . 0.9 OUTLIER 47.02 8.16 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 178.905 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -162.36 139.28 8.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.161 0.505 . . . . 0.0 111.57 -178.874 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -81.83 88.08 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.995 178.824 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' C ' ' CZ ' ' A' ' 8' ' ' TYR . . . 128.6 18.11 1.83 Allowed Glycine 0 C--N 1.337 0.632 0 C-N-CA 119.817 -1.182 . . . . 0.0 114.898 179.016 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.667 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -24.31 -65.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 117.937 0.868 . . . . 0.0 112.341 -178.441 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' O ' ' CD2' ' A' ' 12' ' ' TYR . 53.2 t80 71.57 9.32 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.018 -179.404 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -74.49 -49.88 20.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.212 0.529 . . . . 0.0 110.37 179.695 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.21 -18.68 63.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.843 -179.638 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -58.14 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.511 179.551 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 14' ' ' ARG . 53.0 p90 43.55 38.97 2.07 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.545 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.494 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 13.8 mtmm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.78 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -12.09 79.29 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.471 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER 13.93 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 112.39 -2.186 . . . . 0.0 115.531 176.348 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CZ ' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.84 57.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.092 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 171.05 -46.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.584 0.23 . . . . 0.0 111.114 178.332 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.804 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.7 p 30.68 56.21 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.813 0.816 . . . . 0.0 111.54 -178.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -151.75 23.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.233 179.558 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.63 ' CD2' HG12 ' A' ' 11' ' ' ILE . 48.4 t80 -150.4 176.03 11.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.29 -177.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 11.9 ptm180 -124.63 118.51 26.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.739 0.78 . . . . 0.0 112.969 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' C ' ' HE2' ' A' ' 8' ' ' TYR . . . 42.22 99.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 114.39 -1.277 . . . . 0.0 114.344 178.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.739 ' HB ' ' CD1' ' A' ' 2' ' ' TRP . 9.1 mt -86.87 -66.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.101 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.459 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.8 t80 85.28 30.83 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 -179.318 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CG ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -60.85 -53.88 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -179.653 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -81.35 -46.63 14.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.733 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB2' ' CG ' ' A' ' 12' ' ' TYR . 4.1 mtm-85 -50.97 109.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -128.98 147.11 50.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.009 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.466 0.174 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.71 ' HB3' ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -83.0 62.25 6.45 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.211 0.529 . . . . 0.0 111.045 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.694 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER 28.76 -167.76 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 178.34 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' ' NE ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 11.38 36.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -178.733 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.775 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -152.32 -63.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.796 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.775 HG13 ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 56.21 -42.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 175.665 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -43.77 -31.14 0.75 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.183 0.516 . . . . 0.0 112.149 -178.916 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 1.002 ' HD1' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -94.89 -16.65 22.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.148 -178.537 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.002 ' N ' ' HD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 71.45 -52.78 0.69 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -175.288 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 11' ' ' ILE . . . -138.08 80.33 0.29 Allowed Glycine 0 C--N 1.334 0.432 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 178.558 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.834 HG12 ' CZ ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -5.18 -86.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.354 0.662 . . . . 0.0 112.655 -178.195 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.593 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 58.4 t80 134.33 -11.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.815 0.846 . . . . 0.0 109.802 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' CD1' ' A' ' 2' ' ' TRP . 5.0 p90 -58.96 -44.58 91.52 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.472 -179.473 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 12.3 mtm180 -64.89 -59.64 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.821 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -54.83 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.699 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 47.4 t80 59.6 41.44 18.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.57 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' CA ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.612 ' N ' ' O ' ' A' ' 8' ' ' TYR . 3.5 mtmp? . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 110.834 -0.061 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.067 ' CZ2' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.64 -44.95 63.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 118.864 -1.134 . . . . 0.0 112.998 -177.511 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.755 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -173.86 -86.72 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.524 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.772 ' CE1' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -64.16 62.25 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -177.234 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.825 ' HD3' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 168.87 -55.67 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.064 0.459 . . . . 0.0 112.067 177.736 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.825 ' H ' ' HD3' ' A' ' 5' ' ' ARG . 1.7 p 37.11 71.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.734 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.7 ' CE1' ' CZ ' ' A' ' 5' ' ' ARG . 2.4 p90 -144.52 2.25 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 178.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HB3' ' NH2' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -164.77 141.63 6.09 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 122.823 0.449 . . . . 0.0 111.047 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -104.75 124.84 50.1 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.598 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.532 ' C ' ' OH ' ' A' ' 8' ' ' TYR . . . 135.82 -3.69 3.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.801 -179.538 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.067 HG21 ' CZ2' ' A' ' 2' ' ' TRP . 5.4 mt -46.53 172.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.803 0.811 . . . . 0.0 113.088 -177.424 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.815 ' H ' HG22 ' A' ' 11' ' ' ILE . 47.1 t80 -94.55 77.9 3.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.274 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.494 ' HB3' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -93.96 -91.21 0.19 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.131 -179.313 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmt-85 -48.76 -26.32 2.29 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.037 0.446 . . . . 0.0 110.654 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 7.5 mmm-85 -54.99 -25.38 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 179.548 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -25.15 6.38 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.734 -179.568 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.247 -179.868 . . . . . . . . 1 1 . 1 stop_ save_