data_2kza_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 2kza _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.355 . . . . 73.55 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.03 118.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.51 111.16 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.74 -71.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.153 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 m -162.37 147.81 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.24 111.201 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.55 41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.803 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -109.38 -65.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 75.02 110.94 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -156.7 147.11 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 54.25 110.868 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.665 ' O ' ' C ' ' A' ' 101' ' ' LYS . 41.7 t -97.16 -87.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 65.4 110.893 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER 8.91 78.13 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 74.41 110.889 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 74.25 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 54.3 112.41 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -76.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.126 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.08 -33.85 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 65.13 111.051 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.69 68.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 73.43 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.19 47.63 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 73.34 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -173.43 31.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 63.34 110.918 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 p -59.51 110.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 63.13 110.854 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.3 86.05 0.21 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.599 0.714 . . . . 74.35 110.889 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 74.11 112.397 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.59 0.08 18.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.923 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.53 -173.7 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 63.24 111.126 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -152.36 157.92 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 75.3 110.866 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 45.5 t -69.2 98.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -100.17 144.93 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.43 110.919 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.6 m -121.03 157.6 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 72.21 110.865 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 -171.74 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.02 110.822 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -41.35 -56.54 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 73.32 110.853 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.85 -45.86 41.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 74.35 110.893 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 63.48 18.43 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 72.33 110.928 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.2 -24.5 6.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.35 110.907 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 63.55 111.086 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.0 m -70.88 157.8 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 74.2 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.43 159.3 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.33 110.993 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.27 95.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.883 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -107.07 134.34 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 72.04 110.83 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.4 m -77.27 104.1 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mt -97.31 28.87 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t -106.96 -42.98 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.894 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 mt 58.72 21.99 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.31 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -121.79 -33.61 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.878 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.933 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.869 0.366 . . . . 72.23 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.06 120.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.01 111.105 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.95 -67.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.03 111.14 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' ARG . 5.3 m -162.17 148.64 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.161 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.36 41.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 74.32 110.884 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -103.61 -67.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 t -155.09 144.08 20.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.861 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -168.49 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 75.33 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 75.9 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 74.1 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 82.06 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.621 2.214 . . . . 72.32 112.345 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -55.38 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 72.22 111.103 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.82 -49.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 71.11 111.155 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.77 62.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 75.41 111.046 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.21 60.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 74.03 111.127 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.1 34.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.6 m -52.43 100.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.871 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -179.61 82.44 0.2 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 74.42 110.877 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 71.54 112.336 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.25 3.61 18.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 75.2 110.881 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.94 -176.52 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 75.24 111.106 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -153.44 162.92 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 72.55 110.852 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 31.5 t -67.49 107.22 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 75.15 110.86 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -111.4 146.63 36.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.943 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.04 158.59 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 61.22 110.924 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -171.79 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.14 -57.76 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.862 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.77 -43.3 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.55 110.883 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 62.43 21.8 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.878 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -33.23 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.857 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.33 60.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.089 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.0 m -74.45 159.4 32.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.05 110.885 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.95 163.49 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.932 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.82 96.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.901 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.94 135.51 47.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.847 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 m -73.39 100.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.35 111.1 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 mt -94.75 24.86 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -103.44 -45.74 4.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 62.03 110.845 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 mt 61.57 23.51 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 75.21 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -121.72 -34.35 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.935 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 75.42 110.942 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 t -63.59 130.32 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 62.04 111.154 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.9 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -163.43 148.24 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 71.54 111.129 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.28 40.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.835 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -102.32 -64.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 71.51 110.921 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.8 t -160.45 146.01 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 70.43 110.845 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.91 -169.87 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 70.34 110.881 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.13 71.0 0.85 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 73.1 110.861 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 77.63 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 75.41 112.354 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.16 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 61.32 111.072 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.35 -32.33 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.41 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -169.94 89.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 70.5 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -161.29 43.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 75.03 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 24.2 t -176.12 55.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.807 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.13 67.76 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -159.41 84.43 2.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.69 0.757 . . . . 62.13 110.912 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.4 18.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 73.13 112.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.83 -2.02 36.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.91 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.71 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.55 111.125 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 t -151.32 151.07 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.888 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.15 104.26 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -111.0 143.28 41.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.91 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.5 m -118.59 159.87 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 71.15 110.882 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.97 -171.88 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 74.5 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -41.43 -57.56 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.836 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.56 -45.61 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.22 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 63.56 16.01 9.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -15.49 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.838 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.89 60.4 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 72.32 111.065 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -69.95 158.74 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.17 159.54 44.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.933 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.62 91.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -103.57 134.14 47.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 75.4 110.919 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 m -75.47 96.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 73.14 111.122 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.89 26.3 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.903 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.2 t -100.21 -34.11 10.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.5 mt 58.19 22.36 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 74.3 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -121.35 -33.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 61.1 110.824 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 75.1 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.84 130.44 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.099 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.37 -66.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 73.34 111.093 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.2 m -162.8 146.82 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 73.14 111.114 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.47 39.81 0.52 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.876 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -106.42 -46.22 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.867 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.57 146.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.818 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.92 -159.85 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.53 110.912 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.23 78.84 0.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.515 0.674 . . . . 74.45 110.959 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 68.76 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 73.02 112.325 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.96 -51.57 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 71.3 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -84.51 3.24 37.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.54 111.098 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 80.14 62.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 71.53 111.08 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -149.33 85.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.094 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.76 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.876 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.2 m -54.2 100.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 63.54 110.858 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.5 77.81 0.17 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 71.43 110.897 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -6.87 19.6 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.73 2.287 . . . . 74.35 112.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 5.87 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 75.32 110.881 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.97 -169.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 74.12 111.091 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.49 157.92 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 65.5 110.899 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.6 t -68.7 105.9 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 44.53 110.887 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -99.72 138.7 36.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.982 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 70.5 m -126.0 157.5 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 73.23 110.824 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -171.38 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 74.1 110.878 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -41.66 -57.7 2.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.866 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.35 -43.9 33.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.908 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 64.94 21.08 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.62 -31.23 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.876 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.71 65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.22 111.06 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 37.5 m -78.08 158.7 29.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 42.12 110.896 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 161.99 39.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.836 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.49 95.06 2.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 73.34 110.859 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -104.04 133.05 49.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 74.12 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.1 m -80.87 99.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 65.01 111.167 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.86 26.62 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.939 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -104.22 -46.52 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.87 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.9 mt 60.93 18.84 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -121.13 -32.52 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.14 110.847 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.895 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.887 0.375 . . . . 70.43 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.8 t -84.69 129.56 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.081 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.57 -66.23 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 72.33 111.109 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 m -162.89 147.42 11.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.132 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.39 41.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.875 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -102.8 -69.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.863 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -155.9 146.71 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 70.14 110.888 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.61 -167.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 71.2 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.32 79.59 0.21 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 74.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 68.89 1.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.74 2.294 . . . . 54.34 112.316 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.31 -49.09 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 74.11 111.04 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -83.68 3.26 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 72.22 111.115 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.55 51.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.53 111.027 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -128.58 67.19 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 64.53 111.119 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.19 76.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 64.11 110.942 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.82 56.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -124.85 85.45 57.31 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 73.11 110.926 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -7.01 19.97 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.671 2.248 . . . . 70.34 112.333 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 0.55 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.44 -170.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.095 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 t -152.9 151.41 30.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.879 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.0 t -68.17 105.29 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 53.45 110.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -109.34 148.02 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.933 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.7 m -126.08 156.93 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.895 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -170.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -39.48 -56.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.15 -48.28 53.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.885 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.42 16.18 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 75.31 110.861 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.56 -16.14 9.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 52.53 110.837 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -123.22 48.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 64.02 111.121 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.51 161.24 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.01 110.856 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -152.2 164.1 38.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.38 94.81 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.5 ttt-85 -110.45 133.64 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.865 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 m -75.48 96.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 75.22 111.106 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.91 24.67 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.955 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -100.47 -45.74 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.857 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 mt 62.49 22.14 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.959 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -120.52 -34.0 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.92 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.889 0.376 . . . . 75.42 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.6 t -68.87 127.59 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.08 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -68.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 73.04 111.12 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 m -162.18 144.04 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 64.45 111.163 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.02 41.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 75.14 110.891 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -100.81 -67.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.934 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.2 t -157.96 147.2 19.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.44 110.956 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -169.6 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 61.93 74.91 0.46 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.516 0.675 . . . . 71.03 110.819 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 80.61 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.637 2.225 . . . . 62.35 112.339 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.18 -44.58 52.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.25 -40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 65.12 111.133 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -173.04 69.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.24 111.163 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.33 49.55 2.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 74.21 111.154 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 179.79 51.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.885 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 26.0 p -89.57 15.0 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -59.04 112.74 5.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 74.22 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.16 27.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.263 . . . . 74.24 112.368 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 t 67.19 12.02 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 72.41 110.898 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 127' ' ' VAL . . . -110.2 151.92 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.43 111.1 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -129.7 159.42 36.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.837 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.7 t -66.92 99.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 65.43 110.849 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -107.43 144.66 34.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.879 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.9 m -120.99 158.5 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 64.44 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -172.02 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -42.2 -57.1 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.5 -44.21 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.846 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 63.81 16.09 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.832 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.01 -15.99 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.813 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.83 66.08 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.32 111.103 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.0 m -77.83 164.96 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 71.55 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 165.43 32.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.876 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.9 94.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 70.32 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.44 133.69 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 112' ' ' ALA . 9.0 m -80.53 100.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 75.15 111.12 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.37 22.44 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -94.13 -29.47 15.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 54.35 110.843 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.84 24.39 9.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 75.22 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -122.8 -34.56 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.52 110.881 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.15 110.964 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.93 0.395 . . . . 74.23 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.77 131.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 75.12 111.09 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 -67.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.23 111.138 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -163.31 146.43 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.32 111.155 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.3 40.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.88 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -100.17 -66.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.22 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -157.28 148.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 62.34 110.852 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.81 -167.98 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.906 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp 70.41 75.82 0.24 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 72.11 110.909 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 67.31 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.656 2.237 . . . . 75.43 112.391 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -117.23 -45.9 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.136 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -83.41 3.27 32.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.17 54.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.127 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.91 65.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 72.14 111.081 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.22 82.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 62.44 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.9 p -109.09 92.27 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.844 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -166.86 92.59 0.74 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.576 0.703 . . . . 71.23 110.859 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.54 18.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.726 2.284 . . . . 74.12 112.285 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -2.14 27.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.04 110.858 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.51 -177.72 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 72.33 111.12 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.6 t -151.81 153.22 33.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.899 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.3 t -69.73 105.09 2.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.866 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -108.81 147.79 31.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.932 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.5 m -125.04 156.27 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 75.05 110.879 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.77 -170.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.873 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -38.93 -56.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.895 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.69 -49.11 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 64.07 15.88 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.81 -12.69 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.864 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.23 44.79 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 60.24 111.081 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.1 m -54.84 160.04 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 72.22 110.93 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.06 163.98 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.925 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.7 93.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.849 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.8 133.46 51.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.893 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -79.61 102.07 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.42 111.103 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.53 26.48 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.939 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.3 m -101.27 -42.38 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.884 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.48 21.28 10.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.52 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -120.71 -33.36 3.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 69.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 65.42 110.866 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.925 0.393 . . . . 74.55 110.835 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.67 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 75.11 111.074 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.15 -66.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 71.42 111.068 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.3 m -163.07 147.21 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.148 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.15 40.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 73.24 110.859 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -103.23 -65.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 74.3 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.9 m -162.63 145.93 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.15 110.832 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.98 -159.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 55.52 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.98 79.67 0.27 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 75.43 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 69.37 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 72.21 112.385 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.12 -45.09 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 63.1 111.089 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -91.4 3.63 54.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.109 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 80.45 58.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.098 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.41 66.78 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 63.11 111.076 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 175.72 81.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 61.01 110.884 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 10.5 p -107.46 65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 73.51 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -137.25 88.02 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 73.24 110.879 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -6.34 18.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.617 2.212 . . . . 75.14 112.396 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.81 -0.08 23.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 63.04 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.05 -169.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 50.32 111.146 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.3 t -157.62 147.01 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 73.01 110.841 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.36 106.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.872 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 35.4 t80 -110.67 147.24 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.89 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.08 155.58 38.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 71.15 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -170.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -40.52 -55.83 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.905 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.36 -47.25 37.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 75.34 110.81 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 64.22 15.35 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.73 -5.97 8.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 75.55 110.92 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.64 58.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 64.22 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 m -66.32 158.73 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.841 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.07 163.5 36.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.98 95.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -111.3 133.96 53.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.872 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.66 111.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.104 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.1 25.05 9.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 61.05 110.884 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -102.33 -38.7 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.53 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt 59.73 25.58 14.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 74.53 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -121.58 -34.95 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.53 110.865 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.928 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.864 0.364 . . . . 74.11 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.67 130.61 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.2 111.111 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.44 -66.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 63.52 111.066 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 m -162.82 147.5 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.136 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.99 40.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -104.75 -58.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 61.24 110.853 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -167.85 146.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.8 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -162.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 71.23 110.864 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.18 77.27 0.27 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.694 . . . . 73.01 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 68.04 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 70.34 112.396 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.04 -31.75 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.175 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -105.04 4.27 31.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 52.11 111.024 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 81.13 51.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 71.53 111.085 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.46 86.95 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.099 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 34.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 62.42 110.879 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.94 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 64.31 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -179.77 78.73 0.19 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 73.55 110.849 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.42 18.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 70.4 112.345 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.28 1.18 21.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.71 -175.23 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 74.31 111.054 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 t -149.22 163.0 38.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 62.14 110.868 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.23 105.8 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 54.31 110.934 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -109.63 147.15 33.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.928 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -125.18 159.8 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.513 . . . . 51.35 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -124.59 -168.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.937 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 28.2 m-85 -36.31 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -48.59 -50.67 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.34 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 17.44 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.37 -24.86 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.17 55.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 64.21 111.092 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.0 m -58.45 162.95 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 61.51 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -149.24 161.55 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.917 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.25 94.95 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 72.02 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -111.22 134.27 52.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.891 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.8 m -73.42 100.33 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.42 111.145 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mt -94.78 24.12 4.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.95 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.6 m -103.91 -45.6 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.55 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.27 20.58 11.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 73.31 110.893 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -121.09 -33.44 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.852 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 71.02 110.955 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 72.32 110.813 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -89.33 126.28 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 74.45 111.125 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.55 -69.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.124 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 m -162.7 147.21 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 71.32 111.16 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.48 39.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.88 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -98.96 -66.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.897 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -155.84 145.17 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.854 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -167.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.869 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp 69.18 77.05 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 74.12 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 70.57 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.246 . . . . 72.2 112.367 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.84 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.34 111.108 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -82.59 1.41 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.13 111.182 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 78.79 47.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.51 111.099 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.21 82.98 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.065 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.44 32.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 54.44 110.873 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.3 p -58.25 98.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 61.1 110.879 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -171.85 84.66 0.46 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.591 0.71 . . . . 73.23 110.932 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -6.36 18.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 73.25 112.344 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.85 -0.93 24.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.38 -175.5 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 72.2 111.05 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 t -154.66 166.2 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.888 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -70.38 106.85 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -111.3 147.5 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.99 157.51 35.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 72.3 110.861 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.67 -170.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.45 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -41.2 -56.75 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.24 -44.38 43.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 74.23 110.872 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 62.54 21.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 73.35 110.84 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 -33.96 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 74.14 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -102.91 49.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 64.12 111.12 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 34.2 m -64.37 159.07 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 61.3 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.18 165.53 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.979 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.54 96.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.72 135.32 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.8 m -74.54 94.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.21 111.151 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.43 24.53 3.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.991 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -97.61 -44.71 6.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.87 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt 63.06 23.76 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.862 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -122.4 -34.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 64.53 110.888 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 81.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.862 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.869 0.366 . . . . 72.11 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.4 t -77.09 132.72 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.12 111.1 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.59 -65.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.33 111.145 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' ARG . 2.9 m -162.62 144.13 10.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.446 . . . . 74.55 111.042 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.78 42.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.86 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -109.73 -49.38 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.829 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -179.29 148.61 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.32 110.819 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.8 m -90.33 -90.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.858 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 34.93 57.91 2.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 74.34 110.861 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 72.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.586 2.191 . . . . 71.13 112.391 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.64 -47.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.34 111.093 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -88.11 8.12 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.6 57.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.51 111.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.94 52.9 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.106 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.34 25.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 71.35 110.825 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.5 p -53.73 103.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.836 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -177.03 83.76 0.25 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 72.32 110.87 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.91 19.73 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.64 2.227 . . . . 73.43 112.331 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -0.41 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.861 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.86 -169.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 53.22 111.126 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.35 153.58 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 75.21 110.898 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.85 97.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 72.11 110.899 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -101.65 141.83 33.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 75.35 110.885 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.5 m -115.2 157.64 23.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 75.53 110.834 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -171.92 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.843 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -41.0 -55.82 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.812 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.06 -47.21 34.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 70.2 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 63.9 16.01 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 72.3 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.95 -14.99 9.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 63.54 110.892 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.12 65.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 65.35 111.125 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.5 156.76 38.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 64.45 110.898 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -143.99 161.31 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.02 110.912 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 96.75 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 71.32 110.853 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -109.22 134.71 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 72.2 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.4 m -78.95 108.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 75.03 111.087 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mt -100.95 26.77 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.934 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.4 m -104.99 -43.01 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.893 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 mt 60.26 21.75 11.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 73.3 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -121.03 -33.67 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 71.5 110.908 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 74.11 110.9 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.766 0.317 . . . . 72.34 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.11 127.83 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.046 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.72 -66.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.53 111.093 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.2 m -163.24 147.29 10.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.457 . . . . 64.2 111.167 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.3 40.05 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.871 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -104.17 -64.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.932 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -162.92 146.23 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 62.32 110.857 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 -160.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.922 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.61 79.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 72.24 110.9 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 69.99 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.246 . . . . 73.52 112.373 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.95 -44.35 2.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.139 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -90.78 3.4 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 55.22 111.096 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.82 57.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.165 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -136.98 66.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 51.22 111.068 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.26 68.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 60.42 110.913 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 24.1 p -92.86 41.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.841 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -110.19 82.95 2.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 75.15 110.84 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 -7.14 20.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.668 2.246 . . . . 74.12 112.387 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -0.67 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.61 -170.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.12 111.114 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -151.2 152.41 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 74.45 110.845 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -68.27 105.92 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.883 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -111.39 145.95 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.913 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.89 157.37 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.878 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -171.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -40.74 -55.67 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.849 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.27 -47.35 36.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 63.73 15.82 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.25 110.869 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -12.49 9.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.887 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.91 64.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 63.54 111.12 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.18 157.77 37.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 72.03 110.828 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.33 162.82 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.928 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.78 94.51 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 75.54 110.834 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -112.03 132.85 54.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 75.11 110.893 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 m -76.07 96.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.03 111.14 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.31 24.64 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.7 m -101.92 -43.89 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.85 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.75 26.41 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 63.5 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -121.81 -35.09 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.21 110.917 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.877 0.37 . . . . 61.24 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.59 129.33 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 71.3 111.13 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.54 -66.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.04 111.092 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.3 m -163.23 146.24 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.143 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.98 40.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 73.44 110.877 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -106.16 -67.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.87 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -147.7 140.92 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.4 t -95.4 -70.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.793 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -40.3 102.76 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 75.23 110.922 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 53.8 Cg_endo -69.8 77.63 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 54.41 112.373 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.48 9.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 73.15 111.152 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -177.96 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 55.24 111.042 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.81 58.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 74.03 111.074 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.33 52.74 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.089 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.97 44.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 71.44 110.879 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 80.1 m -79.64 -171.54 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.879 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.7 t0 71.28 110.68 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.629 0.728 . . . . 75.03 110.839 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -6.84 19.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.637 2.225 . . . . 75.4 112.35 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.78 -12.32 58.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.877 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.02 142.47 47.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 75.12 111.111 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.14 154.59 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 53.42 110.825 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.64 97.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 72.34 110.872 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -106.65 141.35 38.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.944 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -114.28 158.4 21.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 73.15 110.833 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.26 -172.01 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 75.42 110.858 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -42.3 -56.18 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.941 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.05 -43.78 30.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.876 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.89 20.45 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.816 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.86 -28.24 5.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 63.11 110.871 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.82 71.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.52 111.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -77.07 154.96 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.879 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -144.77 159.55 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.933 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 92.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 74.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -100.35 133.79 44.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.02 110.945 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.2 m -78.09 75.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 74.15 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -17.53 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.903 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -69.58 -29.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.831 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 mt 51.75 50.7 18.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 75.44 110.939 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -131.03 -40.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.33 110.907 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.887 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.859 0.362 . . . . 73.14 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.0 t -59.06 128.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.4 111.169 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.27 -68.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.15 111.118 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 m -161.64 144.41 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.148 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.61 40.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 74.34 110.833 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -106.91 -67.77 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.885 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.98 146.66 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 74.23 110.861 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.623 ' O ' ' C ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -96.43 -86.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.528 . . . . 72.41 110.88 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.623 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 16.86 68.43 0.2 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 72.34 110.888 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 76.86 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 73.53 112.342 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.29 37.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 71.21 111.136 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.84 -41.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.43 111.056 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.56 68.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 53.31 111.095 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.82 47.07 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 75.13 111.067 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -177.52 33.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.4 p -57.92 105.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 52.02 110.91 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.19 82.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 73.23 110.842 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.35 18.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 74.14 112.375 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -110.92 3.68 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 70.24 110.857 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -113.78 -170.34 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.03 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.8 t -149.44 144.97 26.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 72.55 110.898 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.51 93.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -84.22 135.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.902 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.6 m -127.04 159.38 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.25 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -127.56 -169.44 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.882 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 24.3 m-85 -36.89 -58.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 74.54 110.862 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -48.67 -50.52 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.88 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 63.19 20.38 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 73.52 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.33 -31.94 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.21 110.863 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.93 50.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.132 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.3 m -58.69 173.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -153.01 159.09 42.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.939 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.85 96.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.52 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -104.49 132.42 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.3 m -85.66 96.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.195 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.41 24.41 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 72.54 110.951 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.0 m -98.8 -36.23 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 70.21 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 58.62 22.21 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 72.34 110.967 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.28 -33.22 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.914 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.92 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.899 0.38 . . . . 73.34 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.96 120.67 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 72.43 111.151 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.19 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.02 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' ARG . 2.7 m -163.15 148.04 11.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.144 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.74 43.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.11 110.863 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -105.27 -68.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.876 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 145.86 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 54.35 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -168.79 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.889 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt 69.66 75.41 0.26 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.566 0.698 . . . . 73.3 110.882 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 67.55 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.659 2.239 . . . . 75.05 112.303 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.34 -39.78 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.22 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -83.99 4.08 31.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 71.41 111.096 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.99 49.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.01 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -139.78 65.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.45 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.26 83.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 62.24 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.4 p -108.07 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.883 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 71.46 106.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 63.21 110.897 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.51 18.78 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.659 2.24 . . . . 74.21 112.286 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.53 -10.58 58.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.927 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.48 164.97 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 72.31 111.124 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -143.75 151.63 40.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.848 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.4 t -70.57 102.84 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 65.14 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -109.0 146.18 34.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.938 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.7 m -122.6 157.68 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.916 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -121.99 -169.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.877 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' ARG . 3.6 m-85 -36.09 -61.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.902 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.1 -51.01 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.855 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 63.58 15.94 9.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.851 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.09 -26.52 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.824 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.95 51.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 72.4 111.172 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 36.9 m -56.97 161.88 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.02 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -148.87 159.91 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.92 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.18 88.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.881 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -99.63 133.43 43.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.864 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.7 m -82.46 106.32 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 75.51 111.093 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.92 27.91 4.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 65.0 m -99.3 -51.43 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 73.25 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.0 mt 61.54 27.03 16.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 74.34 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -150.58 35.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 75.02 110.84 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.839 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.865 0.364 . . . . 71.43 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 107' ' ' CYS . 0.6 OUTLIER -84.34 139.14 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.53 111.058 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.38 -165.73 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 73.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 m -63.95 135.39 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.172 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.7 38.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 64.15 110.925 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -88.2 -66.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 t -162.03 144.42 11.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.814 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 -168.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 63.32 110.86 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.15 71.81 0.46 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 72.03 110.875 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.34 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 74.41 112.35 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.53 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 64.22 111.083 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -111.37 -33.35 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -179.56 61.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 70.02 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.49 67.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 62.11 111.095 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.5 OUTLIER 178.9 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.929 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 m -57.09 -175.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.24 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 67.56 98.24 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 73.54 110.85 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.87 19.64 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 75.31 112.34 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -6.39 55.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.885 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.12 161.46 15.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.05 111.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 t -140.51 156.11 46.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 74.43 110.846 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.04 102.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 70.14 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -109.7 147.85 32.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.892 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.4 m -125.52 157.58 36.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -171.13 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.886 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -42.14 -57.59 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.2 -42.4 29.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 72.55 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.38 16.36 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.2 -29.15 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.917 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.81 57.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.061 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.3 m -78.63 161.81 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.831 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.61 174.38 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.893 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.1 86.87 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -96.84 134.1 40.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 63.14 110.813 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.7 m -79.07 103.74 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 64.15 111.073 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.56 24.56 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 63.2 110.923 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.3 m -99.6 -29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.87 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mt 58.29 25.4 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -141.27 24.02 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.813 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.35 110.884 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.86 0.362 . . . . 72.03 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.37 117.45 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.122 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.27 -70.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.22 111.06 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 97' ' ' ARG . 3.5 m -162.71 148.74 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 64.3 111.071 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.76 42.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.876 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -105.12 -68.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.858 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -152.35 144.95 24.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.878 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.9 -168.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.873 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.47 78.96 0.28 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.694 . . . . 73.4 110.923 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 69.24 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 74.5 112.415 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.28 -43.25 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.122 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -88.31 5.07 43.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 80.11 54.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.04 111.122 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.74 87.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.147 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 54.13 110.824 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.5 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.848 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 67.27 84.91 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 71.43 110.849 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.767 2.311 . . . . 74.23 112.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -10.41 58.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.54 110.895 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -98.43 -170.9 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.142 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 t -154.24 156.35 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 74.33 110.868 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.1 t -71.47 104.36 3.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 70.1 110.85 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -107.72 146.45 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 53.6 m -123.28 157.24 33.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 74.12 110.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -171.82 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.886 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -41.14 -56.27 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.895 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.41 -46.21 37.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.03 110.84 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.87 16.14 9.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 75.11 110.848 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -11.94 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.827 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 57.77 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.138 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -70.4 161.41 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.906 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.4 161.05 42.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.888 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.98 90.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 73.33 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -103.9 133.95 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.8 m -74.68 95.96 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 70.32 111.173 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.24 24.12 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.2 t -102.97 -51.0 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.885 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.8 mt 62.11 26.66 16.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 72.24 110.85 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -141.13 24.32 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.808 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.874 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.909 0.385 . . . . 63.12 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.63 119.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 70.15 111.077 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.25 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.43 111.009 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -162.41 147.41 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.02 111.151 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.66 41.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.838 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -106.19 -58.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.891 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.54 142.25 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.846 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.3 m -86.76 -88.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 25.54 63.63 0.48 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 73.44 110.857 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 73.3 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.763 2.309 . . . . 71.42 112.34 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.76 -43.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.137 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -85.65 5.07 33.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 80.08 56.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.5 63.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 64.35 111.134 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.937 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.3 p -60.68 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.82 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.8 m-20 70.25 98.52 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 71.3 110.889 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.7 Cg_endo -69.74 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.64 2.227 . . . . 74.12 112.371 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 -10.82 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.914 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.48 172.64 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.41 111.12 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -146.95 144.82 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.02 110.908 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.4 t -66.75 100.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.885 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.15 141.87 39.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.53 110.949 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 36.6 m -115.84 159.25 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 65.24 110.946 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.49 -171.68 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.879 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -41.41 -56.49 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.884 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.39 -46.22 36.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 63.25 16.38 9.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.91 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.47 -18.6 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.897 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.7 62.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 54.4 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.75 157.77 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.901 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -146.96 158.36 43.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.04 91.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.889 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.93 133.48 46.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.903 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.8 m -83.44 96.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 65.31 111.149 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.32 34.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.62 -41.73 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.84 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt 60.44 21.85 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.922 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -121.37 -33.47 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.21 110.815 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 70.52 110.864 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.891 0.377 . . . . 71.43 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.13 125.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.129 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.05 -69.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.138 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 m -163.37 145.6 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.171 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.37 39.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.871 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -104.36 -66.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -156.16 144.96 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 74.22 110.859 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.66 ' O ' ' C ' ' A' ' 101' ' ' LYS . 45.2 t -97.98 -89.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.66 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 10.52 76.98 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 75.01 110.824 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 66.98 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.781 2.321 . . . . 74.34 112.327 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -118.66 -49.83 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.091 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -84.07 3.67 33.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 70.43 111.125 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 78.51 54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.25 111.072 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.53 65.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.12 111.126 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.84 34.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.23 110.886 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 23.3 p -61.62 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.842 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.4 t70 69.89 100.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.541 0.686 . . . . 73.31 110.921 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.2 Cg_endo -69.69 -6.38 18.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.733 2.288 . . . . 64.34 112.333 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.12 -10.93 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 74.32 110.898 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -113.68 157.85 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 72.43 111.092 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.3 t -131.64 148.48 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 30.5 t -67.6 97.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.858 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -100.36 144.23 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.937 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.4 m -119.19 157.14 28.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 64.44 110.949 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 -171.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.938 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.29 -56.68 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.2 -46.08 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.907 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 63.5 18.27 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -24.37 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 71.34 110.788 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.6 67.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.043 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 21.2 m -76.26 157.81 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -146.49 157.98 43.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.038 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -72.65 92.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.11 110.821 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.1 ttm-85 -105.27 133.05 50.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.818 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 16.1 m -80.22 117.06 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 73.01 111.083 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.43 24.51 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.905 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -99.37 -33.93 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.13 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.6 mt 58.84 24.92 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 71.22 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -122.35 -34.64 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 62.2 110.888 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.856 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.893 0.378 . . . . 75.33 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.6 t -80.45 127.94 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.11 111.095 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -67.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.09 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -162.91 148.8 12.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 64.42 111.124 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.87 40.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.885 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -106.09 -55.31 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.93 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -170.44 147.04 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.792 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 -160.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.34 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.7 80.14 0.24 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.583 0.706 . . . . 75.01 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 72.43 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.281 . . . . 63.34 112.362 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.47 -41.12 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.22 111.042 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -93.93 3.45 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.19 55.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 72.11 111.069 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.96 86.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.03 111.1 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.85 34.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 62.22 110.835 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 p -76.55 116.66 17.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.844 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -173.7 117.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 61.05 110.842 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 135.2 29.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.278 . . . . 74.54 112.306 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.3 t 67.33 14.73 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 73.12 110.799 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 127' ' ' VAL . . . -89.15 163.85 15.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 52.44 111.059 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.9 p -152.14 147.88 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 63.24 110.904 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.89 105.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.882 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -110.78 145.85 37.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.893 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.3 m -122.56 157.4 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 74.12 110.805 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -171.5 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.905 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -41.22 -56.06 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.888 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.36 -46.13 36.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 74.42 110.83 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 63.91 15.9 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.883 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.43 -11.7 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.909 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.87 65.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 60.32 111.067 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 16.5 m -73.24 156.07 38.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.907 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.91 162.25 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 71.03 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 94.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 60.43 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.49 133.24 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.908 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 112' ' ' ALA . 6.0 m -75.42 97.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.44 111.069 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.7 mt -92.92 39.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.919 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.7 m -108.1 -41.22 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.837 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mt 62.79 16.72 9.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.967 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.85 -31.48 4.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 71.21 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.01 110.917 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.355 . . . . 73.55 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.03 118.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.51 111.16 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.74 -71.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.153 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 m -162.37 147.81 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.24 111.201 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.55 41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.803 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -109.38 -65.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 75.02 110.94 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -156.7 147.11 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 54.25 110.868 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.665 ' O ' ' C ' ' A' ' 101' ' ' LYS . 41.7 t -97.16 -87.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 65.4 110.893 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER 8.91 78.13 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 74.41 110.889 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 74.25 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 54.3 112.41 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -76.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.126 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.08 -33.85 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 65.13 111.051 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.69 68.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 73.43 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.19 47.63 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 73.34 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -173.43 31.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 63.34 110.918 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 p -59.51 110.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 63.13 110.854 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.3 86.05 0.21 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.599 0.714 . . . . 74.35 110.889 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 74.11 112.397 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.59 0.08 18.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.923 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.53 -173.7 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 63.24 111.126 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -152.36 157.92 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 75.3 110.866 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 45.5 t -69.2 98.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -100.17 144.93 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.43 110.919 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.6 m -121.03 157.6 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 72.21 110.865 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 -171.74 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.02 110.822 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -41.35 -56.54 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 73.32 110.853 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.85 -45.86 41.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 74.35 110.893 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 63.48 18.43 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 72.33 110.928 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.2 -24.5 6.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.35 110.907 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 63.55 111.086 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.0 m -70.88 157.8 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 74.2 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.43 159.3 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.33 110.993 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.27 95.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.883 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -107.07 134.34 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 72.04 110.83 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.4 m -77.27 104.1 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mt -97.31 28.87 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t -106.96 -42.98 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.894 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 mt 58.72 21.99 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.31 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -121.79 -33.61 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.878 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.933 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.869 0.366 . . . . 72.23 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.06 120.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.01 111.105 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.95 -67.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.03 111.14 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' ARG . 5.3 m -162.17 148.64 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.161 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.36 41.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 74.32 110.884 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -103.61 -67.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 t -155.09 144.08 20.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.861 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -168.49 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 75.33 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 75.9 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 74.1 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 82.06 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.621 2.214 . . . . 72.32 112.345 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -55.38 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 72.22 111.103 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.82 -49.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 71.11 111.155 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.77 62.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 75.41 111.046 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.21 60.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 74.03 111.127 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.1 34.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.6 m -52.43 100.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.871 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -179.61 82.44 0.2 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 74.42 110.877 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 71.54 112.336 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.25 3.61 18.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 75.2 110.881 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -122.94 -176.52 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 75.24 111.106 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -153.44 162.92 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 72.55 110.852 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 31.5 t -67.49 107.22 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 75.15 110.86 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -111.4 146.63 36.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.943 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.04 158.59 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 61.22 110.924 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -171.79 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.14 -57.76 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.862 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.77 -43.3 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.55 110.883 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 62.43 21.8 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.878 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -33.23 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.857 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.33 60.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.089 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.0 m -74.45 159.4 32.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.05 110.885 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.95 163.49 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.932 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.82 96.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.901 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.94 135.51 47.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.847 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 m -73.39 100.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.35 111.1 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 mt -94.75 24.86 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -103.44 -45.74 4.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 62.03 110.845 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 mt 61.57 23.51 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 75.21 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -121.72 -34.35 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.935 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 75.42 110.942 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 t -63.59 130.32 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 62.04 111.154 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.9 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -163.43 148.24 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 71.54 111.129 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.28 40.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.835 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -102.32 -64.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 71.51 110.921 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.8 t -160.45 146.01 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 70.43 110.845 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.91 -169.87 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 70.34 110.881 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.13 71.0 0.85 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 73.1 110.861 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 77.63 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 75.41 112.354 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.16 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 61.32 111.072 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.35 -32.33 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.41 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -169.94 89.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 70.5 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -161.29 43.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 75.03 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 24.2 t -176.12 55.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.807 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.13 67.76 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -159.41 84.43 2.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.69 0.757 . . . . 62.13 110.912 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.4 18.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 73.13 112.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.83 -2.02 36.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.91 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.71 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.55 111.125 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 t -151.32 151.07 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.888 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.15 104.26 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -111.0 143.28 41.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.91 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.5 m -118.59 159.87 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 71.15 110.882 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.97 -171.88 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 74.5 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -41.43 -57.56 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.836 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.56 -45.61 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.22 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 63.56 16.01 9.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -15.49 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.838 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.89 60.4 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 72.32 111.065 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -69.95 158.74 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.17 159.54 44.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.933 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.62 91.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -103.57 134.14 47.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 75.4 110.919 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 m -75.47 96.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 73.14 111.122 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.89 26.3 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.903 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.2 t -100.21 -34.11 10.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.5 mt 58.19 22.36 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 74.3 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -121.35 -33.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 61.1 110.824 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 75.1 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.84 130.44 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.099 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.37 -66.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 73.34 111.093 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.2 m -162.8 146.82 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 73.14 111.114 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.47 39.81 0.52 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.876 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -106.42 -46.22 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.867 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.57 146.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.818 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.92 -159.85 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.53 110.912 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.23 78.84 0.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.515 0.674 . . . . 74.45 110.959 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 68.76 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 73.02 112.325 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.96 -51.57 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 71.3 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -84.51 3.24 37.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.54 111.098 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 80.14 62.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 71.53 111.08 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -149.33 85.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.094 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.76 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.876 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.2 m -54.2 100.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 63.54 110.858 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.5 77.81 0.17 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 71.43 110.897 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -6.87 19.6 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.73 2.287 . . . . 74.35 112.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 5.87 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 75.32 110.881 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.97 -169.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 74.12 111.091 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.49 157.92 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 65.5 110.899 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.6 t -68.7 105.9 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 44.53 110.887 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -99.72 138.7 36.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.982 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 70.5 m -126.0 157.5 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 73.23 110.824 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -171.38 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 74.1 110.878 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -41.66 -57.7 2.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.866 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.35 -43.9 33.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.908 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 64.94 21.08 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.62 -31.23 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.876 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.71 65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.22 111.06 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 37.5 m -78.08 158.7 29.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 42.12 110.896 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 161.99 39.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.836 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.49 95.06 2.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 73.34 110.859 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -104.04 133.05 49.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 74.12 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.1 m -80.87 99.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 65.01 111.167 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.86 26.62 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.939 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -104.22 -46.52 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.87 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.9 mt 60.93 18.84 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -121.13 -32.52 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.14 110.847 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.895 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.887 0.375 . . . . 70.43 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.8 t -84.69 129.56 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.081 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.57 -66.23 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 72.33 111.109 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 m -162.89 147.42 11.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.132 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.39 41.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.875 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -102.8 -69.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.863 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -155.9 146.71 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 70.14 110.888 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.61 -167.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 71.2 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.32 79.59 0.21 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 74.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 68.89 1.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.74 2.294 . . . . 54.34 112.316 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.31 -49.09 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 74.11 111.04 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -83.68 3.26 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 72.22 111.115 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.55 51.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.53 111.027 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -128.58 67.19 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 64.53 111.119 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.19 76.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 64.11 110.942 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.82 56.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -124.85 85.45 57.31 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 73.11 110.926 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -7.01 19.97 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.671 2.248 . . . . 70.34 112.333 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 0.55 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.44 -170.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.095 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 t -152.9 151.41 30.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.879 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.0 t -68.17 105.29 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 53.45 110.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -109.34 148.02 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.933 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.7 m -126.08 156.93 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.895 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -170.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -39.48 -56.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.15 -48.28 53.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.885 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.42 16.18 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 75.31 110.861 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.56 -16.14 9.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 52.53 110.837 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -123.22 48.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 64.02 111.121 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.51 161.24 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.01 110.856 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -152.2 164.1 38.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.38 94.81 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.5 ttt-85 -110.45 133.64 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.865 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 m -75.48 96.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 75.22 111.106 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.91 24.67 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.955 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -100.47 -45.74 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.857 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 mt 62.49 22.14 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.959 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -120.52 -34.0 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.92 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.889 0.376 . . . . 75.42 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.6 t -68.87 127.59 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.08 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -68.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 73.04 111.12 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 m -162.18 144.04 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 64.45 111.163 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.02 41.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 75.14 110.891 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -100.81 -67.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.934 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.2 t -157.96 147.2 19.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.44 110.956 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -169.6 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 61.93 74.91 0.46 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.516 0.675 . . . . 71.03 110.819 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 80.61 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.637 2.225 . . . . 62.35 112.339 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.18 -44.58 52.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.25 -40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 65.12 111.133 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -173.04 69.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.24 111.163 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.33 49.55 2.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 74.21 111.154 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 179.79 51.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.885 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 26.0 p -89.57 15.0 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -59.04 112.74 5.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 74.22 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.16 27.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.263 . . . . 74.24 112.368 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 t 67.19 12.02 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 72.41 110.898 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 127' ' ' VAL . . . -110.2 151.92 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.43 111.1 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -129.7 159.42 36.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.837 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.7 t -66.92 99.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 65.43 110.849 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -107.43 144.66 34.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.879 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.9 m -120.99 158.5 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 64.44 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -172.02 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -42.2 -57.1 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.5 -44.21 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.846 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 63.81 16.09 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.832 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.01 -15.99 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.813 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.83 66.08 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.32 111.103 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.0 m -77.83 164.96 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 71.55 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 165.43 32.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.876 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.9 94.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 70.32 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.44 133.69 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 112' ' ' ALA . 9.0 m -80.53 100.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 75.15 111.12 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.37 22.44 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -94.13 -29.47 15.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 54.35 110.843 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.84 24.39 9.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 75.22 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -122.8 -34.56 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.52 110.881 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.15 110.964 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.93 0.395 . . . . 74.23 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.77 131.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 75.12 111.09 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 -67.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.23 111.138 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -163.31 146.43 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.32 111.155 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.3 40.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.88 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -100.17 -66.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.22 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -157.28 148.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 62.34 110.852 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.81 -167.98 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.906 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp 70.41 75.82 0.24 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 72.11 110.909 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 67.31 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.656 2.237 . . . . 75.43 112.391 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -117.23 -45.9 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.136 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -83.41 3.27 32.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.17 54.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.127 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.91 65.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 72.14 111.081 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.22 82.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 62.44 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.9 p -109.09 92.27 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.844 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -166.86 92.59 0.74 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.576 0.703 . . . . 71.23 110.859 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.54 18.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.726 2.284 . . . . 74.12 112.285 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -2.14 27.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.04 110.858 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.51 -177.72 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 72.33 111.12 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.6 t -151.81 153.22 33.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.899 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.3 t -69.73 105.09 2.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.866 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -108.81 147.79 31.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.932 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.5 m -125.04 156.27 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 75.05 110.879 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.77 -170.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.873 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -38.93 -56.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.895 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.69 -49.11 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 64.07 15.88 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.81 -12.69 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.864 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.23 44.79 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 60.24 111.081 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.1 m -54.84 160.04 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 72.22 110.93 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.06 163.98 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.925 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.7 93.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.849 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.8 133.46 51.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.893 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.6 m -79.61 102.07 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.42 111.103 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.53 26.48 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.939 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.3 m -101.27 -42.38 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.884 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.48 21.28 10.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.52 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -120.71 -33.36 3.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 69.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 65.42 110.866 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.925 0.393 . . . . 74.55 110.835 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.67 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 75.11 111.074 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.15 -66.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 71.42 111.068 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.3 m -163.07 147.21 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.148 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.15 40.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 73.24 110.859 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -103.23 -65.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 74.3 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.9 m -162.63 145.93 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.15 110.832 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.98 -159.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 55.52 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.98 79.67 0.27 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 75.43 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 69.37 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 72.21 112.385 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.12 -45.09 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 63.1 111.089 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -91.4 3.63 54.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.109 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 80.45 58.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.098 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.41 66.78 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 63.11 111.076 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 175.72 81.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 61.01 110.884 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 10.5 p -107.46 65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 73.51 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -137.25 88.02 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 73.24 110.879 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -6.34 18.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.617 2.212 . . . . 75.14 112.396 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.81 -0.08 23.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 63.04 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.05 -169.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 50.32 111.146 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.3 t -157.62 147.01 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 73.01 110.841 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.36 106.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.872 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 35.4 t80 -110.67 147.24 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.89 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.08 155.58 38.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 71.15 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -170.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -40.52 -55.83 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.905 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.36 -47.25 37.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 75.34 110.81 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 64.22 15.35 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.73 -5.97 8.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 75.55 110.92 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.64 58.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 64.22 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 m -66.32 158.73 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.841 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.07 163.5 36.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.98 95.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -111.3 133.96 53.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.872 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.66 111.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.104 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.1 25.05 9.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 61.05 110.884 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -102.33 -38.7 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.53 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt 59.73 25.58 14.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 74.53 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -121.58 -34.95 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.53 110.865 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.928 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.864 0.364 . . . . 74.11 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.67 130.61 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.2 111.111 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.44 -66.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 63.52 111.066 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 m -162.82 147.5 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.136 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.99 40.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -104.75 -58.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 61.24 110.853 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -167.85 146.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.8 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -162.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 71.23 110.864 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.18 77.27 0.27 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.694 . . . . 73.01 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 68.04 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 70.34 112.396 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.04 -31.75 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.175 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -105.04 4.27 31.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 52.11 111.024 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 81.13 51.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 71.53 111.085 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.46 86.95 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.099 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 34.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 62.42 110.879 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.94 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 64.31 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -179.77 78.73 0.19 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 73.55 110.849 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.42 18.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 70.4 112.345 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.28 1.18 21.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.71 -175.23 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 74.31 111.054 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 t -149.22 163.0 38.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 62.14 110.868 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.23 105.8 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 54.31 110.934 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -109.63 147.15 33.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.928 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -125.18 159.8 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.513 . . . . 51.35 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -124.59 -168.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.937 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 28.2 m-85 -36.31 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -48.59 -50.67 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.34 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 17.44 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.37 -24.86 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.17 55.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 64.21 111.092 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.0 m -58.45 162.95 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 61.51 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -149.24 161.55 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.917 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.25 94.95 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 72.02 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -111.22 134.27 52.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.891 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.8 m -73.42 100.33 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.42 111.145 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mt -94.78 24.12 4.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.95 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.6 m -103.91 -45.6 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.55 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.27 20.58 11.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 73.31 110.893 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -121.09 -33.44 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.852 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 71.02 110.955 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 72.32 110.813 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -89.33 126.28 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 74.45 111.125 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.55 -69.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.124 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 m -162.7 147.21 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 71.32 111.16 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.48 39.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.88 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -98.96 -66.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.897 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -155.84 145.17 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.854 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -167.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.869 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp 69.18 77.05 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 74.12 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 70.57 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.246 . . . . 72.2 112.367 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.84 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.34 111.108 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -82.59 1.41 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.13 111.182 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 78.79 47.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.51 111.099 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.21 82.98 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.065 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.44 32.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 54.44 110.873 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.3 p -58.25 98.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 61.1 110.879 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -171.85 84.66 0.46 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.591 0.71 . . . . 73.23 110.932 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -6.36 18.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 73.25 112.344 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.85 -0.93 24.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -123.38 -175.5 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 72.2 111.05 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 t -154.66 166.2 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.888 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -70.38 106.85 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -111.3 147.5 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.99 157.51 35.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 72.3 110.861 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.67 -170.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.45 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -41.2 -56.75 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.24 -44.38 43.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 74.23 110.872 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 62.54 21.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 73.35 110.84 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 -33.96 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 74.14 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -102.91 49.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 64.12 111.12 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 34.2 m -64.37 159.07 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 61.3 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.18 165.53 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.979 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.54 96.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.72 135.32 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.8 m -74.54 94.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.21 111.151 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.43 24.53 3.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.991 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -97.61 -44.71 6.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.87 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt 63.06 23.76 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.862 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -122.4 -34.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 64.53 110.888 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 81.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.862 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.869 0.366 . . . . 72.11 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.4 t -77.09 132.72 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.12 111.1 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.59 -65.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.33 111.145 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' ARG . 2.9 m -162.62 144.13 10.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.446 . . . . 74.55 111.042 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.78 42.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.86 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -109.73 -49.38 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.829 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -179.29 148.61 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.32 110.819 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.8 m -90.33 -90.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.858 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 34.93 57.91 2.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 74.34 110.861 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 72.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.586 2.191 . . . . 71.13 112.391 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.64 -47.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.34 111.093 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -88.11 8.12 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.6 57.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.51 111.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.94 52.9 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.106 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.34 25.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 71.35 110.825 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.5 p -53.73 103.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.836 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -177.03 83.76 0.25 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 72.32 110.87 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.91 19.73 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.64 2.227 . . . . 73.43 112.331 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -0.41 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.861 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.86 -169.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 53.22 111.126 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.35 153.58 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 75.21 110.898 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.85 97.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 72.11 110.899 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -101.65 141.83 33.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 75.35 110.885 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.5 m -115.2 157.64 23.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 75.53 110.834 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -171.92 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.843 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -41.0 -55.82 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.812 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.06 -47.21 34.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 70.2 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 63.9 16.01 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 72.3 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.95 -14.99 9.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 63.54 110.892 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.12 65.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 65.35 111.125 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.5 156.76 38.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 64.45 110.898 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -143.99 161.31 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.02 110.912 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 96.75 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 71.32 110.853 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -109.22 134.71 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 72.2 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.4 m -78.95 108.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 75.03 111.087 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mt -100.95 26.77 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.934 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.4 m -104.99 -43.01 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.893 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 mt 60.26 21.75 11.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 73.3 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -121.03 -33.67 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 71.5 110.908 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 74.11 110.9 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.766 0.317 . . . . 72.34 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.11 127.83 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.046 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.72 -66.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.53 111.093 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.2 m -163.24 147.29 10.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.457 . . . . 64.2 111.167 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.3 40.05 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.871 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -104.17 -64.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.932 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -162.92 146.23 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 62.32 110.857 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 -160.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.922 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.61 79.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 72.24 110.9 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 69.99 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.246 . . . . 73.52 112.373 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.95 -44.35 2.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.139 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -90.78 3.4 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 55.22 111.096 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.82 57.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.165 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -136.98 66.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 51.22 111.068 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.26 68.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 60.42 110.913 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 24.1 p -92.86 41.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.841 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -110.19 82.95 2.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 75.15 110.84 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 -7.14 20.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.668 2.246 . . . . 74.12 112.387 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -0.67 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.61 -170.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.12 111.114 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -151.2 152.41 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 74.45 110.845 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -68.27 105.92 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.883 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -111.39 145.95 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.913 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.89 157.37 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.878 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -171.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -40.74 -55.67 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.849 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.27 -47.35 36.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 63.73 15.82 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.25 110.869 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -12.49 9.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.887 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.91 64.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 63.54 111.12 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.18 157.77 37.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 72.03 110.828 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.33 162.82 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.928 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.78 94.51 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 75.54 110.834 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -112.03 132.85 54.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 75.11 110.893 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 m -76.07 96.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.03 111.14 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.31 24.64 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.7 m -101.92 -43.89 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.85 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.75 26.41 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 63.5 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -121.81 -35.09 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.21 110.917 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.877 0.37 . . . . 61.24 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.59 129.33 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 71.3 111.13 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.54 -66.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.04 111.092 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.3 m -163.23 146.24 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.143 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.98 40.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 73.44 110.877 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -106.16 -67.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.87 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -147.7 140.92 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.4 t -95.4 -70.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.793 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -40.3 102.76 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 75.23 110.922 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 53.8 Cg_endo -69.8 77.63 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 54.41 112.373 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.48 9.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 73.15 111.152 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -177.96 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 55.24 111.042 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.81 58.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 74.03 111.074 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.33 52.74 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.089 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.97 44.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 71.44 110.879 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 80.1 m -79.64 -171.54 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.879 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.7 t0 71.28 110.68 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.629 0.728 . . . . 75.03 110.839 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -6.84 19.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.637 2.225 . . . . 75.4 112.35 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.78 -12.32 58.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.877 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.02 142.47 47.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 75.12 111.111 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.14 154.59 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 53.42 110.825 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.64 97.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 72.34 110.872 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -106.65 141.35 38.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.944 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -114.28 158.4 21.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 73.15 110.833 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.26 -172.01 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 75.42 110.858 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -42.3 -56.18 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.941 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.05 -43.78 30.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.876 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.89 20.45 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.816 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.86 -28.24 5.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 63.11 110.871 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.82 71.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.52 111.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -77.07 154.96 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.879 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -144.77 159.55 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.933 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 92.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 74.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -100.35 133.79 44.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.02 110.945 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.2 m -78.09 75.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 74.15 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -17.53 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.903 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -69.58 -29.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.831 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 mt 51.75 50.7 18.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 75.44 110.939 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -131.03 -40.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.33 110.907 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.887 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.859 0.362 . . . . 73.14 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.0 t -59.06 128.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.4 111.169 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.27 -68.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.15 111.118 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 m -161.64 144.41 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.148 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.61 40.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 74.34 110.833 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -106.91 -67.77 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.885 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.98 146.66 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 74.23 110.861 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.623 ' O ' ' C ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -96.43 -86.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.528 . . . . 72.41 110.88 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.623 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 16.86 68.43 0.2 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 72.34 110.888 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 76.86 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 73.53 112.342 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.29 37.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 71.21 111.136 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.84 -41.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.43 111.056 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.56 68.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 53.31 111.095 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.82 47.07 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 75.13 111.067 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -177.52 33.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.4 p -57.92 105.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 52.02 110.91 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.19 82.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 73.23 110.842 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.35 18.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 74.14 112.375 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -110.92 3.68 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 70.24 110.857 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -113.78 -170.34 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.03 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.8 t -149.44 144.97 26.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 72.55 110.898 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.51 93.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -84.22 135.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.902 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.6 m -127.04 159.38 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.25 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -127.56 -169.44 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.882 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 24.3 m-85 -36.89 -58.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 74.54 110.862 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -48.67 -50.52 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.88 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 63.19 20.38 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 73.52 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.33 -31.94 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.21 110.863 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.93 50.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.132 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.3 m -58.69 173.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -153.01 159.09 42.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.939 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.85 96.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.52 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -104.49 132.42 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.3 m -85.66 96.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.195 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.41 24.41 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 72.54 110.951 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.0 m -98.8 -36.23 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 70.21 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 58.62 22.21 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 72.34 110.967 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.28 -33.22 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.914 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.92 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.899 0.38 . . . . 73.34 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.96 120.67 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 72.43 111.151 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.19 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.02 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' ARG . 2.7 m -163.15 148.04 11.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.144 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.74 43.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.11 110.863 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -105.27 -68.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.876 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 145.86 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 54.35 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -168.79 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.889 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt 69.66 75.41 0.26 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.566 0.698 . . . . 73.3 110.882 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 67.55 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.659 2.239 . . . . 75.05 112.303 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.34 -39.78 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.22 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -83.99 4.08 31.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 71.41 111.096 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.99 49.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.01 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -139.78 65.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.45 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.26 83.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 62.24 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.4 p -108.07 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.883 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 71.46 106.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 63.21 110.897 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.51 18.78 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.659 2.24 . . . . 74.21 112.286 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.53 -10.58 58.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.927 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.48 164.97 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 72.31 111.124 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -143.75 151.63 40.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.848 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.4 t -70.57 102.84 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 65.14 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -109.0 146.18 34.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.938 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.7 m -122.6 157.68 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.916 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -121.99 -169.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.877 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' ARG . 3.6 m-85 -36.09 -61.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.902 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.1 -51.01 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.855 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 63.58 15.94 9.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.851 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.09 -26.52 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.824 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.95 51.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 72.4 111.172 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 36.9 m -56.97 161.88 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.02 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -148.87 159.91 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.92 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.18 88.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.881 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -99.63 133.43 43.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.864 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.7 m -82.46 106.32 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 75.51 111.093 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.92 27.91 4.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 65.0 m -99.3 -51.43 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 73.25 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.0 mt 61.54 27.03 16.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 74.34 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -150.58 35.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 75.02 110.84 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.839 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.865 0.364 . . . . 71.43 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 107' ' ' CYS . 0.6 OUTLIER -84.34 139.14 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.53 111.058 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.38 -165.73 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 73.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 m -63.95 135.39 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.172 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.7 38.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 64.15 110.925 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -88.2 -66.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 t -162.03 144.42 11.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.814 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 -168.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 63.32 110.86 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.15 71.81 0.46 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 72.03 110.875 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.34 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 74.41 112.35 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.53 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 64.22 111.083 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -111.37 -33.35 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -179.56 61.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 70.02 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.49 67.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 62.11 111.095 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.5 OUTLIER 178.9 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.929 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 m -57.09 -175.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.24 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 67.56 98.24 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 73.54 110.85 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.87 19.64 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 75.31 112.34 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -6.39 55.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.885 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.12 161.46 15.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.05 111.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 t -140.51 156.11 46.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 74.43 110.846 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.04 102.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 70.14 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -109.7 147.85 32.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.892 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.4 m -125.52 157.58 36.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -171.13 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.886 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -42.14 -57.59 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.2 -42.4 29.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 72.55 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.38 16.36 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.2 -29.15 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.917 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.81 57.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.061 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.3 m -78.63 161.81 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.831 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.61 174.38 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.893 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.1 86.87 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -96.84 134.1 40.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 63.14 110.813 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.7 m -79.07 103.74 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 64.15 111.073 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.56 24.56 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 63.2 110.923 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.3 m -99.6 -29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.87 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mt 58.29 25.4 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -141.27 24.02 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.813 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.35 110.884 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.86 0.362 . . . . 72.03 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.37 117.45 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.122 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.27 -70.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.22 111.06 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 97' ' ' ARG . 3.5 m -162.71 148.74 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 64.3 111.071 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.76 42.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.876 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -105.12 -68.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.858 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -152.35 144.95 24.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.878 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.9 -168.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.873 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.47 78.96 0.28 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.694 . . . . 73.4 110.923 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 69.24 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 74.5 112.415 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.28 -43.25 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.122 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -88.31 5.07 43.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 80.11 54.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.04 111.122 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.74 87.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.147 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 54.13 110.824 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.5 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.848 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 67.27 84.91 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 71.43 110.849 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.767 2.311 . . . . 74.23 112.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -10.41 58.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.54 110.895 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -98.43 -170.9 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.142 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 t -154.24 156.35 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 74.33 110.868 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.1 t -71.47 104.36 3.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 70.1 110.85 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -107.72 146.45 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 53.6 m -123.28 157.24 33.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 74.12 110.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -171.82 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.886 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -41.14 -56.27 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.895 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.41 -46.21 37.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.03 110.84 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.87 16.14 9.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 75.11 110.848 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -11.94 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.827 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 57.77 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.138 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -70.4 161.41 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.906 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.4 161.05 42.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.888 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.98 90.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 73.33 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -103.9 133.95 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.8 m -74.68 95.96 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 70.32 111.173 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.24 24.12 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.2 t -102.97 -51.0 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.885 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.8 mt 62.11 26.66 16.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 72.24 110.85 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -141.13 24.32 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.808 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.874 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.909 0.385 . . . . 63.12 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.63 119.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 70.15 111.077 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.25 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.43 111.009 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -162.41 147.41 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.02 111.151 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.66 41.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.838 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -106.19 -58.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.891 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.54 142.25 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.846 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.3 m -86.76 -88.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 25.54 63.63 0.48 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 73.44 110.857 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 73.3 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.763 2.309 . . . . 71.42 112.34 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.76 -43.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.137 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -85.65 5.07 33.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 80.08 56.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.5 63.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 64.35 111.134 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.937 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.3 p -60.68 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.82 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.8 m-20 70.25 98.52 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 71.3 110.889 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.7 Cg_endo -69.74 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.64 2.227 . . . . 74.12 112.371 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 -10.82 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.914 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.48 172.64 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.41 111.12 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -146.95 144.82 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.02 110.908 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.4 t -66.75 100.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.885 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.15 141.87 39.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.53 110.949 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 36.6 m -115.84 159.25 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 65.24 110.946 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.49 -171.68 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.879 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -41.41 -56.49 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.884 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.39 -46.22 36.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 63.25 16.38 9.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.91 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.47 -18.6 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.897 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.7 62.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 54.4 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.75 157.77 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.901 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -146.96 158.36 43.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.04 91.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.889 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.93 133.48 46.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.903 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.8 m -83.44 96.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 65.31 111.149 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.32 34.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.62 -41.73 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.84 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt 60.44 21.85 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.922 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -121.37 -33.47 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.21 110.815 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 70.52 110.864 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.891 0.377 . . . . 71.43 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.13 125.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.129 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.05 -69.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.138 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 m -163.37 145.6 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.171 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.37 39.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.871 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -104.36 -66.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -156.16 144.96 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 74.22 110.859 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.66 ' O ' ' C ' ' A' ' 101' ' ' LYS . 45.2 t -97.98 -89.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.66 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 10.52 76.98 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 75.01 110.824 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 66.98 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.781 2.321 . . . . 74.34 112.327 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -118.66 -49.83 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.091 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -84.07 3.67 33.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 70.43 111.125 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 78.51 54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.25 111.072 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.53 65.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.12 111.126 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.84 34.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.23 110.886 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 23.3 p -61.62 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.842 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.4 t70 69.89 100.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.541 0.686 . . . . 73.31 110.921 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.2 Cg_endo -69.69 -6.38 18.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.733 2.288 . . . . 64.34 112.333 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.12 -10.93 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 74.32 110.898 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -113.68 157.85 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 72.43 111.092 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.3 t -131.64 148.48 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 30.5 t -67.6 97.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.858 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -100.36 144.23 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.937 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.4 m -119.19 157.14 28.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 64.44 110.949 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 -171.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.938 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.29 -56.68 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.2 -46.08 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.907 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 63.5 18.27 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -24.37 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 71.34 110.788 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.6 67.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.043 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 21.2 m -76.26 157.81 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -146.49 157.98 43.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.038 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -72.65 92.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.11 110.821 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.1 ttm-85 -105.27 133.05 50.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.818 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 16.1 m -80.22 117.06 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 73.01 111.083 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.43 24.51 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.905 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -99.37 -33.93 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.13 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.6 mt 58.84 24.92 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 71.22 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -122.35 -34.64 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 62.2 110.888 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.856 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.893 0.378 . . . . 75.33 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.6 t -80.45 127.94 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.11 111.095 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -67.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.09 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -162.91 148.8 12.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 64.42 111.124 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.87 40.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.885 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -106.09 -55.31 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.93 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -170.44 147.04 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.792 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 -160.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.34 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.7 80.14 0.24 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.583 0.706 . . . . 75.01 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 72.43 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.281 . . . . 63.34 112.362 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.47 -41.12 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.22 111.042 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 105' ' ' ALA . . . -93.93 3.45 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 104' ' ' ALA . . . 79.19 55.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 72.11 111.069 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.96 86.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.03 111.1 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.85 34.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 62.22 110.835 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 p -76.55 116.66 17.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.844 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -173.7 117.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 61.05 110.842 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 135.2 29.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.278 . . . . 74.54 112.306 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.3 t 67.33 14.73 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 73.12 110.799 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 127' ' ' VAL . . . -89.15 163.85 15.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 52.44 111.059 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.9 p -152.14 147.88 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 63.24 110.904 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.89 105.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.882 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -110.78 145.85 37.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.893 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.3 m -122.56 157.4 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 74.12 110.805 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -171.5 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.905 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -41.22 -56.06 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.888 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.36 -46.13 36.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 74.42 110.83 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 63.91 15.9 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.883 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.43 -11.7 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.909 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.87 65.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 60.32 111.067 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 16.5 m -73.24 156.07 38.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.907 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.91 162.25 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 71.03 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 94.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 60.43 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.49 133.24 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.908 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 112' ' ' ALA . 6.0 m -75.42 97.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.44 111.069 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.7 mt -92.92 39.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.919 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.7 m -108.1 -41.22 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.837 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mt 62.79 16.72 9.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.967 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.85 -31.48 4.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 71.21 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.01 110.917 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.355 . . . . 73.549999999999997 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 98' ' ' ASN . 4.1 t -70.03 118.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.420000000000002 111.16 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.74 -71.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 111.153 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.436 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.6 m -162.37 147.81 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.240000000000002 111.201 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.55 41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 110.803 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.487 ' HB3' HG13 ' A' ' 94' ' ' VAL . 9.7 t-20 -109.38 -65.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 65.450000000000003 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -156.7 147.11 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 54.25 110.868 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.665 ' O ' ' C ' ' A' ' 101' ' ' LYS . 41.7 t -97.16 -87.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 65.400000000000006 110.893 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER 8.91 78.13 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 72.530000000000001 110.889 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 74.25 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 45.329999999999998 112.41 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -76.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 61.219999999999999 111.126 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.08 -33.85 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 65.129999999999995 111.051 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.69 68.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 61.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.19 47.63 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 43.340000000000003 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -173.43 31.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 63.340000000000003 110.918 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 p -59.51 110.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 63.130000000000003 110.854 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -179.3 86.05 0.21 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.599 0.714 . . . . 73.010000000000005 110.889 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 43.5 112.397 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.59 0.08 18.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 54.329999999999998 110.923 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -123.53 -173.7 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 63.240000000000002 111.126 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB3' HD12 ' A' ' 128' ' ' LEU . 1.8 t -152.36 157.92 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.209999999999994 110.866 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 45.5 t -69.2 98.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.402 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 21.0 t80 -100.17 144.93 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.430000000000007 110.919 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.6 m -121.03 157.6 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 63.240000000000002 110.865 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 -171.74 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.120000000000005 110.822 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -41.35 -56.54 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 73.319999999999993 110.853 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.85 -45.86 41.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 74.349999999999994 110.893 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 63.48 18.43 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 72.099999999999994 110.928 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.2 -24.5 6.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 53.520000000000003 110.907 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 63.549999999999997 111.086 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.0 m -70.88 157.8 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.219999999999999 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.43 159.3 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 74.530000000000001 110.993 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.27 95.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 72.129999999999995 110.883 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 7.0 ttm180 -107.07 134.34 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.32 110.83 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' A' ' 112' ' ' ALA . 10.4 m -77.27 104.1 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.340000000000003 111.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.5 mt -97.31 28.87 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 73.409999999999997 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t -106.96 -42.98 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.894 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 mt 58.72 21.99 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.129999999999995 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -121.79 -33.61 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 73.030000000000001 110.878 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.450000000000003 110.933 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.869 0.366 . . . . 72.230000000000004 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.556 HG13 ' HB3' ' A' ' 98' ' ' ASN . 3.7 t -71.06 120.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.010000000000005 111.105 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.95 -67.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 44.119999999999997 111.14 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.408 HG22 ' HD2' ' A' ' 97' ' ' ARG . 5.3 m -162.17 148.64 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 111.161 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.36 41.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 70.329999999999998 110.884 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.556 ' HB3' HG13 ' A' ' 94' ' ' VAL . 8.4 t-20 -103.61 -67.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 t -155.09 144.08 20.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 73.129999999999995 110.861 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -168.49 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 75.329999999999998 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 75.9 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 73.209999999999994 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 82.06 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.621 2.214 . . . . 70.409999999999997 112.345 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -55.38 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 72.219999999999999 111.103 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.82 -49.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 71.109999999999999 111.155 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.77 62.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 75.409999999999997 111.046 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.21 60.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.420000000000002 111.127 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.1 34.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.6 m -52.43 100.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.871 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 3.6 t0 -179.61 82.44 0.2 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 62.420000000000002 110.877 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 71.540000000000006 112.336 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.25 3.61 18.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 71.430000000000007 110.881 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.658 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -122.94 -176.52 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 111.106 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.502 ' HB3' HD12 ' A' ' 128' ' ' LEU . 1.6 t -153.44 162.92 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 70.010000000000005 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 31.5 t -67.49 107.22 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 64.049999999999997 110.86 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -111.4 146.63 36.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.943 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.04 158.59 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 61.219999999999999 110.924 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -171.79 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 61.350000000000001 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.14 -57.76 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 70.319999999999993 110.862 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.77 -43.3 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 110.883 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 62.43 21.8 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.150000000000006 110.878 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -33.23 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 110.857 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.33 60.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 111.089 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.0 m -74.45 159.4 32.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.049999999999997 110.885 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.95 163.49 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.230000000000004 110.932 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.82 96.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.430000000000007 110.901 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.94 135.51 47.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.847 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.658 HG12 ' HB2' ' A' ' 112' ' ' ALA . 8.0 m -73.39 100.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 111.1 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.6 mt -94.75 24.86 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.937 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -103.44 -45.74 4.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 62.030000000000001 110.845 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 mt 61.57 23.51 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 62.130000000000003 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -121.72 -34.35 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.935 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 72.219999999999999 110.942 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' A' ' 98' ' ' ASN . 12.3 t -63.59 130.32 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 62.039999999999999 111.154 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.9 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.129999999999995 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.457 HG22 ' HD2' ' A' ' 97' ' ' ARG . 3.5 m -163.43 148.24 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 71.540000000000006 111.129 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.28 40.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 62.039999999999999 110.835 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.638 ' CB ' HG13 ' A' ' 94' ' ' VAL . 6.3 t-20 -102.32 -64.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 71.030000000000001 110.921 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.8 t -160.45 146.01 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 70.430000000000007 110.845 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.91 -169.87 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 61.219999999999999 110.881 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.13 71.0 0.85 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 72.150000000000006 110.861 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 77.63 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 74.230000000000004 112.354 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.16 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 55.43 111.072 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.35 -32.33 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.409999999999997 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -169.94 89.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 70.5 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -161.29 43.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.219999999999999 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 24.2 t -176.12 55.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 62.439999999999998 110.807 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.13 67.76 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -159.41 84.43 2.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.69 0.757 . . . . 62.130000000000003 110.912 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.4 18.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 60.32 112.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.83 -2.02 36.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.349999999999994 110.91 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -108.71 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.549999999999997 111.125 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 t -151.32 151.07 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 62.399999999999999 110.888 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.15 104.26 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 74.099999999999994 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 10.7 t80 -111.0 143.28 41.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 74.150000000000006 110.91 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.5 m -118.59 159.87 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 71.150000000000006 110.882 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.97 -171.88 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -41.43 -57.56 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.836 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.56 -45.61 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 70.310000000000002 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 63.56 16.01 9.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 73.530000000000001 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -15.49 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.838 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.89 60.4 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 52.229999999999997 111.065 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -69.95 158.74 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.17 159.54 44.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 61.310000000000002 110.933 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.62 91.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 71.099999999999994 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 12.0 ttp85 -103.57 134.14 47.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 75.349999999999994 110.919 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.4 m -75.47 96.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 111.122 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.89 26.3 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.903 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.2 t -100.21 -34.11 10.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.5 mt 58.19 22.36 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 72.109999999999999 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -121.35 -33.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 74.409999999999997 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 41.539999999999999 110.824 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 72.0 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.824 HG23 ' HB1' ' A' ' 106' ' ' ALA . 3.3 t -80.84 130.44 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.540000000000006 111.099 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.37 -66.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 72.439999999999998 111.093 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.443 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.2 m -162.8 146.82 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 73.140000000000001 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.443 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.47 39.81 0.52 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 74.120000000000005 110.876 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.606 ' CB ' HG13 ' A' ' 94' ' ' VAL . 6.3 t-20 -106.42 -46.22 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.867 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.57 146.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 110.818 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.92 -159.85 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 63.43 110.912 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.23 78.84 0.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.515 0.674 . . . . 74.450000000000003 110.959 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 68.76 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 73.019999999999996 112.325 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.96 -51.57 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 71.299999999999997 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.626 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -84.51 3.24 37.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.540000000000006 111.098 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.14 62.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 71.530000000000001 111.08 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.824 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -149.33 85.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 111.094 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.76 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.039999999999999 110.876 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.2 m -54.2 100.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 63.539999999999999 110.858 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.5 OUTLIER 179.5 77.81 0.17 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 71.430000000000007 110.897 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -6.87 19.6 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.73 2.287 . . . . 74.349999999999994 112.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 5.87 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 75.319999999999993 110.881 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.708 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -111.97 -169.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 74.120000000000005 111.091 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.486 ' HB3' HD12 ' A' ' 128' ' ' LEU . 0.3 OUTLIER -152.49 157.92 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 54.140000000000001 110.899 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.6 t -68.7 105.9 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 42.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.509 ' HD2' HD21 ' A' ' 128' ' ' LEU . 25.1 t80 -99.72 138.7 36.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 110.982 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 70.5 m -126.0 157.5 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 65.310000000000002 110.824 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -171.38 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 74.099999999999994 110.878 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -41.66 -57.7 2.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.530000000000001 110.866 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.35 -43.9 33.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 73.349999999999994 110.908 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 64.94 21.08 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.310000000000002 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.62 -31.23 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.230000000000004 110.876 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.71 65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.219999999999999 111.06 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 37.5 m -78.08 158.7 29.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 30.34 110.896 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 161.99 39.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.310000000000002 110.836 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.49 95.06 2.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 60.210000000000001 110.859 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 26.5 ttt-85 -104.04 133.05 49.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.708 HG12 ' HB2' ' A' ' 112' ' ' ALA . 9.1 m -80.87 99.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 55.299999999999997 111.167 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.509 HD21 ' HD2' ' A' ' 115' ' ' TYR . 1.7 mt -93.86 26.62 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 73.420000000000002 110.939 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -104.22 -46.52 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.32 110.87 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.9 mt 60.93 18.84 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 73.310000000000002 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -121.13 -32.52 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 74.129999999999995 110.847 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.130000000000003 110.895 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.887 0.375 . . . . 70.430000000000007 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.703 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.8 t -84.69 129.56 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.319999999999993 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.57 -66.23 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 71.329999999999998 111.109 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 97' ' ' ARG . 6.8 m -162.89 147.42 11.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 71.430000000000007 111.132 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.39 41.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.875 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.564 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.4 t-20 -102.8 -69.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 60.310000000000002 110.863 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -155.9 146.71 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 70.140000000000001 110.888 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.61 -167.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.439999999999998 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.32 79.59 0.21 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 63.310000000000002 110.859 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 68.89 1.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.74 2.294 . . . . 41.439999999999998 112.316 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.31 -49.09 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 72.439999999999998 111.04 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.68 3.26 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 45.530000000000001 111.115 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.55 51.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.530000000000001 111.027 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.703 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -128.58 67.19 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 63.020000000000003 111.119 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.19 76.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 63.25 110.942 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.82 56.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.510000000000005 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -124.85 85.45 57.31 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 73.109999999999999 110.926 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -7.01 19.97 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.671 2.248 . . . . 70.340000000000003 112.333 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 0.55 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -114.44 -170.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 72.209999999999994 111.095 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 t -152.9 151.41 30.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.879 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.0 t -68.17 105.29 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 53.450000000000003 110.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 39.2 t80 -109.34 148.02 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.933 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.7 m -126.08 156.93 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 63.200000000000003 110.895 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.556 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -116.08 -170.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.885 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -39.48 -56.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 63.210000000000001 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.15 -48.28 53.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.219999999999999 110.885 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.42 16.18 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 73.230000000000004 110.861 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.56 -16.14 9.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 33.439999999999998 110.837 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.556 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -123.22 48.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 52.5 111.121 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.51 161.24 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.010000000000005 110.856 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -152.2 164.1 38.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 63.439999999999998 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.38 94.81 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 75.349999999999994 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.5 ttt-85 -110.45 133.64 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.4 m -75.48 96.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 111.106 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.91 24.67 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 110.955 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -100.47 -45.74 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.857 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 mt 62.49 22.14 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.959 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -120.52 -34.0 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.450000000000003 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 61.130000000000003 110.92 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.889 0.376 . . . . 75.420000000000002 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 98' ' ' ASN . 6.6 t -68.87 127.59 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 63.539999999999999 111.08 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -68.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 62.329999999999998 111.12 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.678 HG23 ' OD2' ' A' ' 109' ' ' ASP . 5.0 m -162.18 144.04 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 52.409999999999997 111.163 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.609 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.02 41.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 74.319999999999993 110.891 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.61 ' HB3' HG13 ' A' ' 94' ' ' VAL . 11.1 t-20 -100.81 -67.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.934 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.2 t -157.96 147.2 19.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.439999999999998 110.956 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -169.6 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 71.120000000000005 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 61.93 74.91 0.46 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.516 0.675 . . . . 60.130000000000003 110.819 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 80.61 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.637 2.225 . . . . 54.140000000000001 112.339 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.18 -44.58 52.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.450000000000003 111.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.25 -40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.209999999999994 111.133 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -173.04 69.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 42.350000000000001 111.163 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.33 49.55 2.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 111.154 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 179.79 51.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.510000000000005 110.885 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 26.0 p -89.57 15.0 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.319999999999993 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.686 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 28.1 t0 -59.04 112.74 5.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 71.510000000000005 110.851 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.16 27.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.263 . . . . 63.32 112.368 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 t 67.19 12.02 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 54.43 110.898 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.686 ' HB3' ' HB3' ' A' ' 109' ' ' ASP . . . -110.2 151.92 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 50.450000000000003 111.1 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -129.7 159.42 36.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 61.32 110.837 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.7 t -66.92 99.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 65.430000000000007 110.849 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.569 ' HB2' HD11 ' A' ' 128' ' ' LEU . 19.2 t80 -107.43 144.66 34.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 65.209999999999994 110.879 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.9 m -120.99 158.5 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.130000000000003 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -172.02 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 70.209999999999994 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -42.2 -57.1 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 64.219999999999999 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.5 -44.21 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 110.846 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 63.81 16.09 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.150000000000006 110.832 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.01 -15.99 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.813 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.83 66.08 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 111.103 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.0 m -77.83 164.96 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 54.229999999999997 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 165.43 32.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.876 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.9 94.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 54.020000000000003 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.44 133.69 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 72.319999999999993 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' A' ' 112' ' ' ALA . 9.0 m -80.53 100.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 111.12 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -93.37 22.44 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 73.319999999999993 110.962 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -94.13 -29.47 15.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 52.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.84 24.39 9.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 75.219999999999999 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -122.8 -34.56 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.519999999999996 110.881 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.150000000000006 110.964 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.93 0.395 . . . . 74.230000000000004 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.716 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.7 t -77.77 131.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 111.09 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 -67.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 74.409999999999997 111.138 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.449 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.1 m -163.31 146.43 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.319999999999993 111.155 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.3 40.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.88 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.59 ' CB ' HG13 ' A' ' 94' ' ' VAL . 5.0 t-20 -100.17 -66.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 50.530000000000001 110.868 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -157.28 148.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 52.439999999999998 110.852 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.81 -167.98 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 51.229999999999997 110.906 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp 70.41 75.82 0.24 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 65.120000000000005 110.909 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 67.31 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.656 2.237 . . . . 61.399999999999999 112.391 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -117.23 -45.9 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 111.136 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.41 3.27 32.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 55.100000000000001 111.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.17 54.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.127 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.716 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -134.91 65.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 63.310000000000002 111.081 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.22 82.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 62.439999999999998 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.9 p -109.09 92.27 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 52.149999999999999 110.844 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -166.86 92.59 0.74 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.576 0.703 . . . . 50.119999999999997 110.859 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.54 18.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.726 2.284 . . . . 74.120000000000005 112.285 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -2.14 27.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.039999999999999 110.858 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -112.51 -177.72 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.5 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.629 ' HB3' HD12 ' A' ' 128' ' ' LEU . 17.6 t -151.81 153.22 33.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.899 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.3 t -69.73 105.09 2.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.866 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 44.1 t80 -108.81 147.79 31.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.5 m -125.04 156.27 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 72.099999999999994 110.879 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -116.77 -170.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.873 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -38.93 -56.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.530000000000001 110.895 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.69 -49.11 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 64.07 15.88 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.230000000000004 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.81 -12.69 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 74.409999999999997 110.864 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.548 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -125.23 44.79 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 60.240000000000002 111.081 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.1 m -54.84 160.04 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 72.219999999999999 110.93 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.06 163.98 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.925 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.7 93.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 74.409999999999997 110.849 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -106.8 133.46 51.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 55.420000000000002 110.893 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 112' ' ' ALA . 10.6 m -79.61 102.07 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.439999999999998 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.8 mt -95.53 26.48 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.3 m -101.27 -42.38 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 110.884 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.48 21.28 10.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 62.549999999999997 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -120.71 -33.36 3.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 69.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 62.399999999999999 110.866 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.925 0.393 . . . . 64.219999999999999 110.835 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.694 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -83.67 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 71.409999999999997 111.074 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.15 -66.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 64.530000000000001 111.068 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.433 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.3 m -163.07 147.21 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 52.420000000000002 111.148 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.15 40.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 72.120000000000005 110.859 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.511 ' CB ' HG13 ' A' ' 94' ' ' VAL . 9.1 t-20 -103.23 -65.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.420000000000002 110.855 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.9 m -162.63 145.93 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 110.832 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.98 -159.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 55.520000000000003 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.98 79.67 0.27 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 75.430000000000007 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 69.37 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 72.209999999999994 112.385 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.12 -45.09 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 52.520000000000003 111.089 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -91.4 3.63 54.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.219999999999999 111.109 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.45 58.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 72.239999999999995 111.098 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.694 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -135.41 66.78 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 42.520000000000003 111.076 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 175.72 81.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 61.009999999999998 110.884 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 10.5 p -107.46 65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 73.510000000000005 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.451 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 4.5 t0 -137.25 88.02 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 73.239999999999995 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -6.34 18.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.617 2.212 . . . . 74.040000000000006 112.396 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.81 -0.08 23.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.130000000000003 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -106.05 -169.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 50.32 111.146 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.438 ' HB3' HD12 ' A' ' 128' ' ' LEU . 2.3 t -157.62 147.01 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 73.010000000000005 110.841 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.36 106.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.872 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.439 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 35.4 t80 -110.67 147.24 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 110.89 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.08 155.58 38.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 71.150000000000006 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -170.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 63.219999999999999 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -40.52 -55.83 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 65.120000000000005 110.905 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.36 -47.25 37.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 75.340000000000003 110.81 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 64.22 15.35 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.030000000000001 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.73 -5.97 8.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 75.549999999999997 110.92 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.64 58.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 61.340000000000003 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 m -66.32 158.73 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.841 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.07 163.5 36.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 73.239999999999995 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.98 95.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.120000000000005 110.853 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.439 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -111.3 133.96 53.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.400000000000006 110.872 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 14.9 m -84.66 111.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 75.409999999999997 111.104 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 113' ' ' SER . 2.0 mt -103.1 25.05 9.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 61.049999999999997 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -102.33 -38.7 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.530000000000001 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt 59.73 25.58 14.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 74.530000000000001 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -121.58 -34.95 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.530000000000001 110.865 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 62.43 110.928 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.864 0.364 . . . . 70.340000000000003 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.705 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -79.67 130.61 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.200000000000003 111.111 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.44 -66.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 63.520000000000003 111.066 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.448 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.0 m -162.82 147.5 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 75.530000000000001 111.136 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.448 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.99 40.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.849 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.513 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.8 t-20 -104.75 -58.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 52.130000000000003 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -167.85 146.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.510000000000005 110.8 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -162.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 71.230000000000004 110.864 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.18 77.27 0.27 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.694 . . . . 73.010000000000005 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 68.04 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 55.140000000000001 112.396 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.04 -31.75 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.43 111.175 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -105.04 4.27 31.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 41.119999999999997 111.024 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 81.13 51.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 62.009999999999998 111.085 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -135.46 86.95 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.150000000000006 111.099 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 34.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 62.420000000000002 110.879 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.94 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 64.310000000000002 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 3.5 t0 -179.77 78.73 0.19 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 52.210000000000001 110.849 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.42 18.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 70.400000000000006 112.345 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.28 1.18 21.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.602 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -114.71 -175.23 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 74.310000000000002 111.054 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.787 ' HB3' HD12 ' A' ' 128' ' ' LEU . 36.5 t -149.22 163.0 38.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 62.140000000000001 110.868 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.23 105.8 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 54.109999999999999 110.934 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.573 ' CD1' HD21 ' A' ' 128' ' ' LEU . 46.1 t80 -109.63 147.15 33.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.140000000000001 110.928 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -125.18 159.8 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.513 . . . . 51.340000000000003 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -124.59 -168.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.120000000000005 110.937 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 28.2 m-85 -36.31 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -48.59 -50.67 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.319999999999993 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 17.44 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.37 -24.86 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB3' HH12 ' A' ' 117' ' ' ARG . . . -120.17 55.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 50.43 111.092 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.0 m -58.45 162.95 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 61.509999999999998 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -149.24 161.55 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.917 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.25 94.95 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 72.019999999999996 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.426 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 3.1 ttp180 -111.22 134.27 52.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 50.229999999999997 110.891 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.602 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.8 m -73.42 100.33 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 111.145 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.5 mt -94.78 24.12 4.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.95 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.6 m -103.91 -45.6 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.549999999999997 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.27 20.58 11.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 71.239999999999995 110.893 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -121.09 -33.44 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.852 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 71.019999999999996 110.955 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 72.319999999999993 110.813 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.722 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.5 t -89.33 126.28 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.540000000000006 111.125 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.55 -69.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 111.124 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.441 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.6 m -162.7 147.21 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 71.319999999999993 111.16 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.48 39.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 75.109999999999999 110.88 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.574 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.9 t-20 -98.96 -66.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.897 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -155.84 145.17 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.109999999999999 110.854 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -167.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 54.130000000000003 110.869 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp 69.18 77.05 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 72.340000000000003 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 70.57 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.246 . . . . 65.200000000000003 112.367 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.84 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.340000000000003 111.108 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.611 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -82.59 1.41 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 41.119999999999997 111.182 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 78.79 47.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.510000000000005 111.099 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.21 82.98 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.319999999999993 111.065 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.44 32.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 52.299999999999997 110.873 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.3 p -58.25 98.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 61.100000000000001 110.879 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -171.85 84.66 0.46 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.591 0.71 . . . . 73.230000000000004 110.932 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -6.36 18.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 73.219999999999999 112.344 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.85 -0.93 24.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.69 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -123.38 -175.5 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 72.200000000000003 111.05 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 t -154.66 166.2 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.100000000000001 110.888 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -70.38 106.85 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 61.399999999999999 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -111.3 147.5 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.019999999999996 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.99 157.51 35.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 54.350000000000001 110.861 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.563 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -118.67 -170.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.450000000000003 110.884 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -41.2 -56.75 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.409999999999997 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.24 -44.38 43.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.129999999999995 110.872 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 62.54 21.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 63.219999999999999 110.84 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 -33.96 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 74.140000000000001 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.563 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -102.91 49.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 43.119999999999997 111.12 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 34.2 m -64.37 159.07 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 54.219999999999999 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.18 165.53 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.349999999999994 110.979 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.54 96.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.72 135.32 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 65.239999999999995 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.69 HG12 ' HB2' ' A' ' 112' ' ' ALA . 6.8 m -74.54 94.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.409999999999997 111.151 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.43 24.53 3.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 73.420000000000002 110.991 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -97.61 -44.71 6.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 51.240000000000002 110.87 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt 63.06 23.76 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.049999999999997 110.862 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -122.4 -34.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 64.530000000000001 110.888 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 81.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.430000000000007 110.862 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.869 0.366 . . . . 72.109999999999999 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 98' ' ' ASN . 4.4 t -77.09 132.72 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.120000000000005 111.1 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.59 -65.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.329999999999998 111.145 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.606 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.9 m -162.62 144.13 10.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.446 . . . . 74.549999999999997 111.042 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.606 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.78 42.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.86 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 94' ' ' VAL . 14.0 t-20 -109.73 -49.38 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.219999999999999 110.829 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -179.29 148.61 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.319999999999993 110.819 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.8 m -90.33 -90.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 74.230000000000004 110.858 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 34.93 57.91 2.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 54.140000000000001 110.861 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 72.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.586 2.191 . . . . 71.129999999999995 112.391 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.64 -47.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.200000000000003 111.093 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -88.11 8.12 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 73.310000000000002 111.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.6 57.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 111.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.94 52.9 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 41.310000000000002 111.106 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.34 25.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 65.340000000000003 110.825 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.5 p -53.73 103.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 110.836 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -177.03 83.76 0.25 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 54.43 110.87 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.91 19.73 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.64 2.227 . . . . 61.520000000000003 112.331 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -0.41 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 54.219999999999999 110.861 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.688 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -119.86 -169.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 41.119999999999997 111.126 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.35 153.58 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.898 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.85 97.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 65.420000000000002 110.899 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.412 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 9.9 t80 -101.65 141.83 33.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 75.349999999999994 110.885 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.5 m -115.2 157.64 23.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 74.25 110.834 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -171.92 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 64.519999999999996 110.843 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -41.0 -55.82 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.812 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.06 -47.21 34.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 70.200000000000003 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 63.9 16.01 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 64.340000000000003 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.95 -14.99 9.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 54.009999999999998 110.892 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.12 65.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 65.349999999999994 111.125 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.5 156.76 38.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 64.450000000000003 110.898 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -143.99 161.31 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.912 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 96.75 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 70.319999999999993 110.853 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 5.2 ttm-85 -109.22 134.71 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 63.520000000000003 110.927 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.688 HG12 ' HB2' ' A' ' 112' ' ' ALA . 12.4 m -78.95 108.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 111.087 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mt -100.95 26.77 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.140000000000001 110.934 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.4 m -104.99 -43.01 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.100000000000001 110.893 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 mt 60.26 21.75 11.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -121.03 -33.67 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 53.549999999999997 110.908 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 55.130000000000003 110.9 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.766 0.317 . . . . 72.340000000000003 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.678 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.5 t -85.11 127.83 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 54.25 111.046 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.72 -66.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 52.439999999999998 111.093 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.2 m -163.24 147.29 10.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.457 . . . . 63.340000000000003 111.167 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.3 40.05 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 110.871 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.479 ' HB3' HG13 ' A' ' 94' ' ' VAL . 9.8 t-20 -104.17 -64.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.530000000000001 110.932 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -162.92 146.23 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 54.43 110.857 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 -160.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 110.922 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.61 79.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 55.310000000000002 110.9 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 69.99 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.246 . . . . 73.519999999999996 112.373 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.95 -44.35 2.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 111.139 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -90.78 3.4 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 55.219999999999999 111.096 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.82 57.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 44.340000000000003 111.165 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.678 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -136.98 66.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 51.219999999999999 111.068 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.26 68.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 60.420000000000002 110.913 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 24.1 p -92.86 41.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.841 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -110.19 82.95 2.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 75.150000000000006 110.84 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 -7.14 20.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.668 2.246 . . . . 74.120000000000005 112.387 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -0.67 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 73.439999999999998 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.431 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -110.61 -170.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 53.149999999999999 111.114 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -151.2 152.41 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 74.450000000000003 110.845 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -68.27 105.92 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 73.319999999999993 110.883 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 30.6 t80 -111.39 145.95 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.219999999999999 110.913 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.89 157.37 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.209999999999994 110.878 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -171.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.239999999999995 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -40.74 -55.67 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 110.849 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.27 -47.35 36.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 63.73 15.82 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 53.399999999999999 110.869 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -12.49 9.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.887 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.91 64.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 63.539999999999999 111.12 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.18 157.77 37.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 72.030000000000001 110.828 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.33 162.82 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 75.329999999999998 110.928 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.78 94.51 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.834 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 1.2 tpt85 -112.03 132.85 54.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 75.109999999999999 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 127' ' ' VAL . 7.6 m -76.07 96.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 51.240000000000002 111.14 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.31 24.64 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.239999999999995 110.951 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.7 m -101.92 -43.89 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.420000000000002 110.85 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.75 26.41 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 62.420000000000002 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -121.81 -35.09 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 54.43 110.917 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.877 0.37 . . . . 61.140000000000001 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.561 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.4 t -57.59 129.33 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 63.130000000000003 111.13 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.54 -66.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.040000000000006 111.092 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 97' ' ' ARG . 4.3 m -163.23 146.24 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.310000000000002 111.143 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.405 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.98 40.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 72.129999999999995 110.877 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.504 ' HB3' HG13 ' A' ' 94' ' ' VAL . 16.8 t-20 -106.16 -67.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.099999999999994 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -147.7 140.92 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 55.140000000000001 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.4 t -95.4 -70.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.430000000000007 110.793 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -40.3 102.76 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 75.230000000000004 110.922 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 53.8 Cg_endo -69.8 77.63 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 52.299999999999997 112.373 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.48 9.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 73.150000000000006 111.152 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -177.96 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 55.240000000000002 111.042 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.81 58.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.409999999999997 111.074 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.561 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.33 52.74 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 72.329999999999998 111.089 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.97 44.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 65.219999999999999 110.879 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 80.1 m -79.64 -171.54 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.350000000000001 110.879 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 4.7 t0 71.28 110.68 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.629 0.728 . . . . 75.030000000000001 110.839 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 54.2 Cg_endo -69.69 -6.84 19.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.637 2.225 . . . . 63.210000000000001 112.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.457 ' O ' HG12 ' A' ' 127' ' ' VAL . 0.6 OUTLIER -81.78 -12.32 58.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 72.319999999999993 110.877 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.02 142.47 47.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 64.099999999999994 111.111 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.14 154.59 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 52.229999999999997 110.825 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.64 97.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 70.329999999999998 110.872 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 128' ' ' LEU . 19.1 t80 -106.65 141.35 38.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -114.28 158.4 21.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 71.239999999999995 110.833 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.26 -172.01 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 71.340000000000003 110.858 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -42.3 -56.18 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.340000000000003 110.941 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.05 -43.78 30.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 73.510000000000005 110.876 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.89 20.45 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.329999999999998 110.816 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.86 -28.24 5.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 63.109999999999999 110.871 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.82 71.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 71.140000000000001 111.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -77.07 154.96 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.519999999999996 110.879 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -144.77 159.55 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.933 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 92.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 74.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.636 ' O ' HD22 ' A' ' 128' ' ' LEU . 8.1 ttm180 -100.35 133.79 44.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.945 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 111' ' ' CYS . 9.2 m -78.09 75.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 74.150000000000006 111.125 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER -60.57 -17.53 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 110.903 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -69.58 -29.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.140000000000001 110.831 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 mt 51.75 50.7 18.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 62.140000000000001 110.939 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -131.03 -40.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.329999999999998 110.907 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.219999999999999 110.887 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.859 0.362 . . . . 73.140000000000001 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 99' ' ' SER . 4.0 t -59.06 128.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.310000000000002 111.169 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.27 -68.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.150000000000006 111.118 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 97' ' ' ARG . 5.8 m -161.64 144.41 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 75.209999999999994 111.148 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.61 40.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 73.040000000000006 110.833 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.527 ' HB3' HG13 ' A' ' 94' ' ' VAL . 13.7 t-20 -106.91 -67.77 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 74.329999999999998 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.706 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -159.98 146.66 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 50.210000000000001 110.861 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.623 ' O ' ' C ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -96.43 -86.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.528 . . . . 72.409999999999997 110.88 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.623 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 16.86 68.43 0.2 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 72.340000000000003 110.888 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 76.86 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 73.530000000000001 112.342 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.29 37.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 70.310000000000002 111.136 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.84 -41.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 111.056 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.56 68.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 53.310000000000002 111.095 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.82 47.07 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 111.067 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -177.52 33.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.439999999999998 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.4 p -57.92 105.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 51.130000000000003 110.91 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.633 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -178.19 82.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 73.230000000000004 110.842 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.35 18.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 74.140000000000001 112.375 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -110.92 3.68 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 70.239999999999995 110.857 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.681 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -113.78 -170.34 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 62.219999999999999 111.03 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.8 t -149.44 144.97 26.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 72.549999999999997 110.898 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.51 93.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -84.22 135.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.240000000000002 110.902 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.6 m -127.04 159.38 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 54.509999999999998 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -127.56 -169.44 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.239999999999995 110.882 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 24.3 m-85 -36.89 -58.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 74.540000000000006 110.862 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -48.67 -50.52 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 71.409999999999997 110.88 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 63.19 20.38 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 53.149999999999999 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.33 -31.94 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.240000000000002 110.863 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' HH12 ' A' ' 117' ' ' ARG . . . -110.93 50.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.140000000000001 111.132 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.3 m -58.69 173.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 71.140000000000001 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -153.01 159.09 42.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.939 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.85 96.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.519999999999996 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -104.49 132.42 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 112' ' ' ALA . 8.3 m -85.66 96.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 73.129999999999995 111.195 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 128' ' ' LEU . 3.3 mm? -93.41 24.41 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 53.32 110.951 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.457 ' C ' HD12 ' A' ' 130' ' ' LEU . 71.0 m -98.8 -36.23 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 63.439999999999998 110.858 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 129' ' ' SER . 1.0 OUTLIER 58.62 22.21 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 70.329999999999998 110.967 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.28 -33.22 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.319999999999993 110.914 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.92 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.899 0.38 . . . . 73.340000000000003 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.706 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.3 t -79.96 120.67 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 72.430000000000007 111.151 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.19 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.019999999999996 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.7 m -163.15 148.04 11.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 111.144 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.499 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.74 43.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.109999999999999 110.863 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.487 ' CB ' HG13 ' A' ' 94' ' ' VAL . 13.1 t-20 -105.27 -68.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 110.876 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 145.86 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 42.409999999999997 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -168.79 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 75.140000000000001 110.889 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt 69.66 75.41 0.26 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.566 0.698 . . . . 55.25 110.882 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 67.55 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.659 2.239 . . . . 73.439999999999998 112.303 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.34 -39.78 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 52.210000000000001 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.99 4.08 31.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 55.140000000000001 111.096 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.99 49.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.706 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -139.78 65.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 111.102 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.26 83.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 62.240000000000002 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.4 p -108.07 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.439999999999998 110.883 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 71.46 106.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 60.100000000000001 110.897 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.51 18.78 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.659 2.24 . . . . 52.149999999999999 112.286 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.53 -10.58 58.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 62.409999999999997 110.927 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -106.48 164.97 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 42.130000000000003 111.124 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -143.75 151.63 40.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 61.420000000000002 110.848 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.4 t -70.57 102.84 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 65.140000000000001 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 27.2 t80 -109.0 146.18 34.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 54.119999999999997 110.938 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.7 m -122.6 157.68 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 43.32 110.916 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -121.99 -169.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.877 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' ARG . 3.6 m-85 -36.09 -61.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.902 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.1 -51.01 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.855 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 63.58 15.94 9.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.010000000000005 110.851 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.09 -26.52 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.450000000000003 110.824 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.95 51.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 62.25 111.172 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 36.9 m -56.97 161.88 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 62.130000000000003 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -148.87 159.91 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 71.409999999999997 110.92 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.18 88.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.129999999999995 110.881 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.6 ttt-85 -99.63 133.43 43.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 110.864 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 112' ' ' ALA . 11.7 m -82.46 106.32 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 60.43 111.093 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.92 27.91 4.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.150000000000006 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 65.0 m -99.3 -51.43 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 70.219999999999999 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.0 mt 61.54 27.03 16.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 74.230000000000004 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -150.58 35.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 71.340000000000003 110.84 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.430000000000007 110.839 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.865 0.364 . . . . 71.430000000000007 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 98' ' ' ASN . 0.6 OUTLIER -84.34 139.14 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 71.530000000000001 111.058 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 94' ' ' VAL . . . -86.38 -165.73 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 32.450000000000003 111.127 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.594 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.3 m -63.95 135.39 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.172 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.594 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 40.7 38.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 63.409999999999997 110.925 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.606 ' HB3' HG22 ' A' ' 94' ' ' VAL . 26.7 t-20 -88.2 -66.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 72.530000000000001 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.501 ' HB3' HG21 ' A' ' 94' ' ' VAL . 8.4 t -162.03 144.42 11.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.019999999999996 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 -168.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 63.32 110.86 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.15 71.81 0.46 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 71.420000000000002 110.875 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.34 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 74.409999999999997 112.35 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.53 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 43.229999999999997 111.083 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -111.37 -33.35 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.099999999999994 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -179.56 61.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 70.019999999999996 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.49 67.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 61.350000000000001 111.095 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.5 OUTLIER 178.9 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.929 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 m -57.09 -175.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 51.549999999999997 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 67.56 98.24 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 72.219999999999999 110.85 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.87 19.64 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 75.310000000000002 112.34 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -6.39 55.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.299999999999997 110.885 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.12 161.46 15.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.049999999999997 111.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 t -140.51 156.11 46.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 65.409999999999997 110.846 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.04 102.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 51.310000000000002 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.402 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 48.8 t80 -109.7 147.85 32.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 73.129999999999995 110.892 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.4 m -125.52 157.58 36.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 73.340000000000003 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.619 ' HE ' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -117.95 -171.13 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.239999999999995 110.886 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -42.14 -57.59 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.530000000000001 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.2 -42.4 29.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 60.539999999999999 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.38 16.36 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 72.409999999999997 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.2 -29.15 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 62.509999999999998 110.917 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.619 ' HB3' ' HE ' ' A' ' 117' ' ' ARG . . . -103.81 57.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 61.43 111.061 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.3 m -78.63 161.81 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 71.150000000000006 110.831 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.61 174.38 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 72.329999999999998 110.893 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.1 86.87 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 63.240000000000002 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 1.5 tpt180 -96.84 134.1 40.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 62.100000000000001 110.813 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 127' ' ' VAL . 10.7 m -79.07 103.74 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 53.030000000000001 111.073 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.56 24.56 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 63.200000000000003 110.923 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.3 m -99.6 -29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 110.87 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mt 58.29 25.4 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.450000000000003 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -141.27 24.02 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 63.439999999999998 110.813 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.350000000000001 110.884 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.86 0.362 . . . . 54.539999999999999 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.2 t -75.37 117.45 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.109999999999999 111.122 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.27 -70.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 111.06 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.418 HG22 ' HD2' ' A' ' 97' ' ' ARG . 3.5 m -162.71 148.74 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 60.210000000000001 111.071 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.76 42.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 63.039999999999999 110.876 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.506 ' HB3' HG13 ' A' ' 94' ' ' VAL . 17.3 t-20 -105.12 -68.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.858 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -152.35 144.95 24.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.129999999999995 110.878 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.9 -168.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.873 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.47 78.96 0.28 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.694 . . . . 65.150000000000006 110.923 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 69.24 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 73.530000000000001 112.415 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.28 -43.25 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 111.122 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -88.31 5.07 43.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.11 54.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.040000000000006 111.122 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -140.74 87.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.140000000000001 111.147 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 54.130000000000003 110.824 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.5 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.439999999999998 110.848 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 67.27 84.91 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 60.020000000000003 110.849 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.767 2.311 . . . . 74.230000000000004 112.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -10.41 58.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.539999999999999 110.895 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.575 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -98.43 -170.9 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 111.142 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 t -154.24 156.35 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 61.039999999999999 110.868 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.1 t -71.47 104.36 3.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 70.099999999999994 110.85 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -107.72 146.45 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 72.549999999999997 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 53.6 m -123.28 157.24 33.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 72.540000000000006 110.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -171.82 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.886 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -41.14 -56.27 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.895 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.41 -46.21 37.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 110.84 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.87 16.14 9.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 63.350000000000001 110.848 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -11.94 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.827 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 57.77 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.138 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -70.4 161.41 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 73.150000000000006 110.906 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.4 161.05 42.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.310000000000002 110.888 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.98 90.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 73.329999999999998 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -103.9 133.95 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.319999999999993 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.575 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 6.8 m -74.68 95.96 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 61.5 111.173 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.24 24.12 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.2 t -102.97 -51.0 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 63.219999999999999 110.885 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.8 mt 62.11 26.66 16.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 43.210000000000001 110.85 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -141.13 24.32 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.808 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.874 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.909 0.385 . . . . 44.229999999999997 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.3 t -77.63 119.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 70.150000000000006 111.077 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.25 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 62.149999999999999 111.009 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.419 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.4 m -162.41 147.41 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.019999999999996 111.151 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.66 41.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.040000000000006 110.838 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.52 ' HB3' HG13 ' A' ' 94' ' ' VAL . 15.6 t-20 -106.19 -58.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.54 142.25 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.846 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.3 m -86.76 -88.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.439999999999998 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 25.54 63.63 0.48 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 73.439999999999998 110.857 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 73.3 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.763 2.309 . . . . 65.010000000000005 112.34 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.76 -43.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.239999999999995 111.137 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -85.65 5.07 33.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.08 56.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 65.510000000000005 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -138.5 63.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 53.409999999999997 111.134 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.420000000000002 110.937 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.3 p -60.68 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 71.030000000000001 110.82 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.8 m-20 70.25 98.52 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 60.210000000000001 110.889 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.7 Cg_endo -69.74 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.64 2.227 . . . . 74.120000000000005 112.371 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 -10.82 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.219999999999999 110.914 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -104.48 172.64 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.409999999999997 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -146.95 144.82 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.020000000000003 110.908 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.4 t -66.75 100.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 62.219999999999999 110.885 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.15 141.87 39.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.530000000000001 110.949 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 36.6 m -115.84 159.25 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 65.239999999999995 110.946 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.49 -171.68 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.019999999999996 110.879 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -41.41 -56.49 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 75.030000000000001 110.884 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.39 -46.22 36.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 63.25 16.38 9.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.91 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.47 -18.6 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 110.897 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.7 62.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 54.399999999999999 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.75 157.77 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 71.239999999999995 110.901 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -146.96 158.36 43.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 64.420000000000002 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.04 91.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 62.350000000000001 110.889 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.93 133.48 46.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 110.903 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 112' ' ' ALA . 8.8 m -83.44 96.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 63.100000000000001 111.149 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 128' ' ' LEU . 3.5 mm? -93.32 34.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.340000000000003 110.915 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.62 -41.73 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.84 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt 60.44 21.85 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.510000000000005 110.922 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -121.37 -33.47 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.209999999999994 110.815 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 51.149999999999999 110.864 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.891 0.377 . . . . 54.329999999999998 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.802 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.2 t -79.13 125.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 111.129 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.05 -69.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 73.140000000000001 111.138 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.435 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.8 m -163.37 145.6 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.349999999999994 111.171 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.37 39.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 62.210000000000001 110.871 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.497 ' HB3' HG13 ' A' ' 94' ' ' VAL . 18.3 t-20 -104.36 -66.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 63.43 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -156.16 144.96 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 51.109999999999999 110.859 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.66 ' O ' ' C ' ' A' ' 101' ' ' LYS . 45.2 t -97.98 -89.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.109999999999999 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.66 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 10.52 76.98 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 64.340000000000003 110.824 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 66.98 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.781 2.321 . . . . 73.310000000000002 112.327 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -118.66 -49.83 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 111.091 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.598 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -84.07 3.67 33.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 55.329999999999998 111.125 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 78.51 54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.120000000000005 111.072 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.802 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -131.53 65.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.120000000000005 111.126 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.84 34.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.230000000000004 110.886 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 23.3 p -61.62 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 63.549999999999997 110.842 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.4 t70 69.89 100.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.541 0.686 . . . . 73.310000000000002 110.921 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.2 Cg_endo -69.69 -6.38 18.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.733 2.288 . . . . 64.340000000000003 112.333 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.12 -10.93 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 74.319999999999993 110.898 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -113.68 157.85 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 72.430000000000007 111.092 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.3 t -131.64 148.48 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.120000000000005 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 30.5 t -67.6 97.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 71.319999999999993 110.858 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 19.2 t80 -100.36 144.23 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 64.010000000000005 110.937 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.4 m -119.19 157.14 28.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 64.439999999999998 110.949 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 -171.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.938 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.29 -56.68 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.450000000000003 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.2 -46.08 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 110.907 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 63.5 18.27 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.230000000000004 110.882 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -24.37 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 52.130000000000003 110.788 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.6 67.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.043 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 21.2 m -76.26 157.81 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.299999999999997 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -146.49 157.98 43.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 64.340000000000003 111.038 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -72.65 92.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.109999999999999 110.821 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.1 ttm-85 -105.27 133.05 50.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 74.510000000000005 110.818 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 16.1 m -80.22 117.06 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 73.010000000000005 111.083 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.43 24.51 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.450000000000003 110.905 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -99.37 -33.93 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 65.239999999999995 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.6 mt 58.84 24.92 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 70.439999999999998 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -122.35 -34.64 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 52.310000000000002 110.888 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.856 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.893 0.378 . . . . 64.120000000000005 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.719 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -80.45 127.94 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.109999999999999 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -67.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 71.120000000000005 111.09 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.415 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.1 m -162.91 148.8 12.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 43.43 111.124 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.87 40.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.200000000000003 110.885 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.535 ' CB ' HG13 ' A' ' 94' ' ' VAL . 7.8 t-20 -106.09 -55.31 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 62.439999999999998 110.93 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -170.44 147.04 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.109999999999999 110.792 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 -160.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.340000000000003 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.7 80.14 0.24 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.583 0.706 . . . . 73.299999999999997 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 72.43 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.281 . . . . 63.149999999999999 112.362 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.47 -41.12 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.219999999999999 111.042 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.6 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -93.93 3.45 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.19 55.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.530000000000001 111.069 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.719 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -143.96 86.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.030000000000001 111.1 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.85 34.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 62.219999999999999 110.835 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 p -76.55 116.66 17.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 63.140000000000001 110.844 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.529 ' CG ' ' HB2' ' A' ' 112' ' ' ALA . 66.3 t0 -173.7 117.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 52.439999999999998 110.842 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 135.2 29.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.278 . . . . 74.540000000000006 112.306 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.3 t 67.33 14.73 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 73.120000000000005 110.799 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 109' ' ' ASP . . . -89.15 163.85 15.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 52.439999999999998 111.059 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.694 ' OG ' HD12 ' A' ' 128' ' ' LEU . 8.9 p -152.14 147.88 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 55.119999999999997 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.89 105.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.439999999999998 110.882 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.725 ' HB2' HD11 ' A' ' 128' ' ' LEU . 25.8 t80 -110.78 145.85 37.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 72.430000000000007 110.893 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.3 m -122.56 157.4 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 61.100000000000001 110.805 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -171.5 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 63.210000000000001 110.905 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -41.22 -56.06 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.888 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.36 -46.13 36.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 74.420000000000002 110.83 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 63.91 15.9 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 65.019999999999996 110.883 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.43 -11.7 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 64.319999999999993 110.909 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.87 65.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 52.039999999999999 111.067 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 16.5 m -73.24 156.07 38.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 72.150000000000006 110.907 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.91 162.25 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 94.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 60.43 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.49 133.24 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.340000000000003 110.908 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 112' ' ' ALA . 6.0 m -75.42 97.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.439999999999998 111.069 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 115' ' ' TYR . 2.7 mt -92.92 39.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 110.919 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.7 m -108.1 -41.22 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 72.150000000000006 110.837 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mt 62.79 16.72 9.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.967 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.85 -31.48 4.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 71.209999999999994 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 63.43 110.917 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.355 . . . . 73.549999999999997 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 98' ' ' ASN . 4.1 t -70.03 118.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.420000000000002 111.16 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.74 -71.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 111.153 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.436 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.6 m -162.37 147.81 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.240000000000002 111.201 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.55 41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 110.803 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.487 ' HB3' HG13 ' A' ' 94' ' ' VAL . 9.7 t-20 -109.38 -65.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 65.450000000000003 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -156.7 147.11 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 54.25 110.868 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.665 ' O ' ' C ' ' A' ' 101' ' ' LYS . 41.7 t -97.16 -87.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 65.400000000000006 110.893 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER 8.91 78.13 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 72.530000000000001 110.889 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 74.25 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 45.329999999999998 112.41 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -76.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 61.219999999999999 111.126 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.08 -33.85 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 65.129999999999995 111.051 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.69 68.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 61.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.19 47.63 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 43.340000000000003 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -173.43 31.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 63.340000000000003 110.918 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 p -59.51 110.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 63.130000000000003 110.854 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -179.3 86.05 0.21 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.599 0.714 . . . . 73.010000000000005 110.889 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 43.5 112.397 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.59 0.08 18.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 54.329999999999998 110.923 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -123.53 -173.7 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 63.240000000000002 111.126 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB3' HD12 ' A' ' 128' ' ' LEU . 1.8 t -152.36 157.92 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.209999999999994 110.866 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 45.5 t -69.2 98.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.402 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 21.0 t80 -100.17 144.93 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.430000000000007 110.919 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.6 m -121.03 157.6 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 63.240000000000002 110.865 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 -171.74 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.120000000000005 110.822 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -41.35 -56.54 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 73.319999999999993 110.853 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.85 -45.86 41.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 74.349999999999994 110.893 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 63.48 18.43 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 72.099999999999994 110.928 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.2 -24.5 6.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 53.520000000000003 110.907 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 63.549999999999997 111.086 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.0 m -70.88 157.8 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.219999999999999 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.43 159.3 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 74.530000000000001 110.993 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.27 95.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 72.129999999999995 110.883 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 7.0 ttm180 -107.07 134.34 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.32 110.83 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' A' ' 112' ' ' ALA . 10.4 m -77.27 104.1 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.340000000000003 111.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.5 mt -97.31 28.87 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 73.409999999999997 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t -106.96 -42.98 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.894 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 mt 58.72 21.99 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.129999999999995 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -121.79 -33.61 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 73.030000000000001 110.878 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.450000000000003 110.933 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.869 0.366 . . . . 72.230000000000004 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.556 HG13 ' HB3' ' A' ' 98' ' ' ASN . 3.7 t -71.06 120.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.010000000000005 111.105 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.95 -67.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 44.119999999999997 111.14 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.408 HG22 ' HD2' ' A' ' 97' ' ' ARG . 5.3 m -162.17 148.64 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 111.161 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.36 41.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 70.329999999999998 110.884 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.556 ' HB3' HG13 ' A' ' 94' ' ' VAL . 8.4 t-20 -103.61 -67.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 t -155.09 144.08 20.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 73.129999999999995 110.861 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -168.49 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 75.329999999999998 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 75.9 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 73.209999999999994 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 82.06 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.621 2.214 . . . . 70.409999999999997 112.345 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -55.38 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 72.219999999999999 111.103 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.82 -49.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 71.109999999999999 111.155 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.77 62.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 75.409999999999997 111.046 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.21 60.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.420000000000002 111.127 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.1 34.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.6 m -52.43 100.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.871 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 3.6 t0 -179.61 82.44 0.2 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 62.420000000000002 110.877 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 71.540000000000006 112.336 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.25 3.61 18.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 71.430000000000007 110.881 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.658 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -122.94 -176.52 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 111.106 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.502 ' HB3' HD12 ' A' ' 128' ' ' LEU . 1.6 t -153.44 162.92 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 70.010000000000005 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 31.5 t -67.49 107.22 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 64.049999999999997 110.86 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -111.4 146.63 36.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.943 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.04 158.59 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 61.219999999999999 110.924 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -171.79 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 61.350000000000001 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.14 -57.76 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 70.319999999999993 110.862 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.77 -43.3 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 110.883 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 62.43 21.8 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.150000000000006 110.878 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -33.23 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 110.857 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.33 60.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 111.089 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.0 m -74.45 159.4 32.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.049999999999997 110.885 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.95 163.49 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.230000000000004 110.932 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.82 96.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.430000000000007 110.901 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.94 135.51 47.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.847 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.658 HG12 ' HB2' ' A' ' 112' ' ' ALA . 8.0 m -73.39 100.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 111.1 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.6 mt -94.75 24.86 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.937 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -103.44 -45.74 4.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 62.030000000000001 110.845 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 mt 61.57 23.51 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 62.130000000000003 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -121.72 -34.35 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.935 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 72.219999999999999 110.942 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' A' ' 98' ' ' ASN . 12.3 t -63.59 130.32 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 62.039999999999999 111.154 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.9 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.129999999999995 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.457 HG22 ' HD2' ' A' ' 97' ' ' ARG . 3.5 m -163.43 148.24 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 71.540000000000006 111.129 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.28 40.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 62.039999999999999 110.835 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.638 ' CB ' HG13 ' A' ' 94' ' ' VAL . 6.3 t-20 -102.32 -64.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 71.030000000000001 110.921 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.8 t -160.45 146.01 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 70.430000000000007 110.845 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.91 -169.87 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 61.219999999999999 110.881 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.13 71.0 0.85 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 72.150000000000006 110.861 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 77.63 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 74.230000000000004 112.354 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.16 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 55.43 111.072 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.35 -32.33 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.409999999999997 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -169.94 89.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 70.5 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -161.29 43.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.219999999999999 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 24.2 t -176.12 55.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 62.439999999999998 110.807 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.13 67.76 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -159.41 84.43 2.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.69 0.757 . . . . 62.130000000000003 110.912 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.4 18.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 60.32 112.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.83 -2.02 36.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.349999999999994 110.91 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -108.71 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.549999999999997 111.125 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 t -151.32 151.07 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 62.399999999999999 110.888 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.15 104.26 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 74.099999999999994 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 10.7 t80 -111.0 143.28 41.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 74.150000000000006 110.91 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.5 m -118.59 159.87 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 71.150000000000006 110.882 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.97 -171.88 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -41.43 -57.56 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.836 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.56 -45.61 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 70.310000000000002 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 63.56 16.01 9.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 73.530000000000001 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -15.49 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.838 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.89 60.4 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 52.229999999999997 111.065 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -69.95 158.74 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.17 159.54 44.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 61.310000000000002 110.933 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.62 91.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 71.099999999999994 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 12.0 ttp85 -103.57 134.14 47.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 75.349999999999994 110.919 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.4 m -75.47 96.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 111.122 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.89 26.3 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.903 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.2 t -100.21 -34.11 10.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.5 mt 58.19 22.36 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 72.109999999999999 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -121.35 -33.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 74.409999999999997 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 41.539999999999999 110.824 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 72.0 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.824 HG23 ' HB1' ' A' ' 106' ' ' ALA . 3.3 t -80.84 130.44 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.540000000000006 111.099 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.37 -66.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 72.439999999999998 111.093 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.443 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.2 m -162.8 146.82 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 73.140000000000001 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.443 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.47 39.81 0.52 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 74.120000000000005 110.876 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.606 ' CB ' HG13 ' A' ' 94' ' ' VAL . 6.3 t-20 -106.42 -46.22 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.867 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.57 146.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 110.818 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.92 -159.85 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 63.43 110.912 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.23 78.84 0.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.515 0.674 . . . . 74.450000000000003 110.959 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 68.76 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 73.019999999999996 112.325 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.96 -51.57 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 71.299999999999997 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.626 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -84.51 3.24 37.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.540000000000006 111.098 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.14 62.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 71.530000000000001 111.08 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.824 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -149.33 85.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 111.094 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.76 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.039999999999999 110.876 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.2 m -54.2 100.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 63.539999999999999 110.858 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.5 OUTLIER 179.5 77.81 0.17 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 71.430000000000007 110.897 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -6.87 19.6 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.73 2.287 . . . . 74.349999999999994 112.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 5.87 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 75.319999999999993 110.881 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.708 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -111.97 -169.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 74.120000000000005 111.091 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.486 ' HB3' HD12 ' A' ' 128' ' ' LEU . 0.3 OUTLIER -152.49 157.92 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 54.140000000000001 110.899 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.6 t -68.7 105.9 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 42.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.509 ' HD2' HD21 ' A' ' 128' ' ' LEU . 25.1 t80 -99.72 138.7 36.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 110.982 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 70.5 m -126.0 157.5 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 65.310000000000002 110.824 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -171.38 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 74.099999999999994 110.878 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -41.66 -57.7 2.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.530000000000001 110.866 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.35 -43.9 33.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 73.349999999999994 110.908 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 64.94 21.08 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.310000000000002 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.62 -31.23 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.230000000000004 110.876 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.71 65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.219999999999999 111.06 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 37.5 m -78.08 158.7 29.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 30.34 110.896 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 161.99 39.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.310000000000002 110.836 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.49 95.06 2.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 60.210000000000001 110.859 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 26.5 ttt-85 -104.04 133.05 49.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.708 HG12 ' HB2' ' A' ' 112' ' ' ALA . 9.1 m -80.87 99.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 55.299999999999997 111.167 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.509 HD21 ' HD2' ' A' ' 115' ' ' TYR . 1.7 mt -93.86 26.62 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 73.420000000000002 110.939 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -104.22 -46.52 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.32 110.87 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.9 mt 60.93 18.84 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 73.310000000000002 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -121.13 -32.52 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 74.129999999999995 110.847 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.130000000000003 110.895 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.887 0.375 . . . . 70.430000000000007 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.703 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.8 t -84.69 129.56 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.319999999999993 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.57 -66.23 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 71.329999999999998 111.109 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 97' ' ' ARG . 6.8 m -162.89 147.42 11.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 71.430000000000007 111.132 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.39 41.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.875 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.564 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.4 t-20 -102.8 -69.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 60.310000000000002 110.863 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -155.9 146.71 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 70.140000000000001 110.888 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.61 -167.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.439999999999998 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.32 79.59 0.21 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 63.310000000000002 110.859 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 68.89 1.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.74 2.294 . . . . 41.439999999999998 112.316 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.31 -49.09 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 72.439999999999998 111.04 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.68 3.26 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 45.530000000000001 111.115 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.55 51.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.530000000000001 111.027 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.703 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -128.58 67.19 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 63.020000000000003 111.119 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.19 76.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 63.25 110.942 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.82 56.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.510000000000005 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -124.85 85.45 57.31 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 73.109999999999999 110.926 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -7.01 19.97 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.671 2.248 . . . . 70.340000000000003 112.333 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 0.55 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -114.44 -170.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 72.209999999999994 111.095 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 t -152.9 151.41 30.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.879 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.0 t -68.17 105.29 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 53.450000000000003 110.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 39.2 t80 -109.34 148.02 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.933 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.7 m -126.08 156.93 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 63.200000000000003 110.895 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.556 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -116.08 -170.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.885 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -39.48 -56.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 63.210000000000001 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.15 -48.28 53.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.219999999999999 110.885 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.42 16.18 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 73.230000000000004 110.861 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.56 -16.14 9.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 33.439999999999998 110.837 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.556 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -123.22 48.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 52.5 111.121 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.51 161.24 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.010000000000005 110.856 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -152.2 164.1 38.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 63.439999999999998 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.38 94.81 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 75.349999999999994 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.5 ttt-85 -110.45 133.64 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.4 m -75.48 96.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 111.106 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.91 24.67 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 110.955 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -100.47 -45.74 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.857 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 mt 62.49 22.14 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.959 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -120.52 -34.0 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.450000000000003 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 61.130000000000003 110.92 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.889 0.376 . . . . 75.420000000000002 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 98' ' ' ASN . 6.6 t -68.87 127.59 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 63.539999999999999 111.08 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -68.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 62.329999999999998 111.12 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.678 HG23 ' OD2' ' A' ' 109' ' ' ASP . 5.0 m -162.18 144.04 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 52.409999999999997 111.163 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.609 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.02 41.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 74.319999999999993 110.891 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.61 ' HB3' HG13 ' A' ' 94' ' ' VAL . 11.1 t-20 -100.81 -67.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.934 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.2 t -157.96 147.2 19.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.439999999999998 110.956 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -169.6 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 71.120000000000005 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 61.93 74.91 0.46 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.516 0.675 . . . . 60.130000000000003 110.819 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 80.61 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.637 2.225 . . . . 54.140000000000001 112.339 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.18 -44.58 52.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.450000000000003 111.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.25 -40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.209999999999994 111.133 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -173.04 69.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 42.350000000000001 111.163 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.33 49.55 2.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 111.154 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 179.79 51.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.510000000000005 110.885 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 26.0 p -89.57 15.0 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.319999999999993 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.686 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 28.1 t0 -59.04 112.74 5.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 71.510000000000005 110.851 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.16 27.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.263 . . . . 63.32 112.368 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 t 67.19 12.02 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 54.43 110.898 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.686 ' HB3' ' HB3' ' A' ' 109' ' ' ASP . . . -110.2 151.92 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 50.450000000000003 111.1 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -129.7 159.42 36.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 61.32 110.837 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.7 t -66.92 99.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 65.430000000000007 110.849 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.569 ' HB2' HD11 ' A' ' 128' ' ' LEU . 19.2 t80 -107.43 144.66 34.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 65.209999999999994 110.879 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.9 m -120.99 158.5 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.130000000000003 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -172.02 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 70.209999999999994 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -42.2 -57.1 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 64.219999999999999 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.5 -44.21 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 110.846 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 63.81 16.09 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.150000000000006 110.832 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.01 -15.99 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.813 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.83 66.08 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 111.103 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.0 m -77.83 164.96 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 54.229999999999997 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 165.43 32.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.876 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.9 94.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 54.020000000000003 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.44 133.69 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 72.319999999999993 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' A' ' 112' ' ' ALA . 9.0 m -80.53 100.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 111.12 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -93.37 22.44 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 73.319999999999993 110.962 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -94.13 -29.47 15.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 52.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.84 24.39 9.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 75.219999999999999 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -122.8 -34.56 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.519999999999996 110.881 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.150000000000006 110.964 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.93 0.395 . . . . 74.230000000000004 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.716 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.7 t -77.77 131.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 111.09 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 -67.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 74.409999999999997 111.138 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.449 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.1 m -163.31 146.43 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.319999999999993 111.155 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.3 40.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.88 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.59 ' CB ' HG13 ' A' ' 94' ' ' VAL . 5.0 t-20 -100.17 -66.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 50.530000000000001 110.868 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -157.28 148.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 52.439999999999998 110.852 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.81 -167.98 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 51.229999999999997 110.906 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp 70.41 75.82 0.24 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 65.120000000000005 110.909 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 67.31 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.656 2.237 . . . . 61.399999999999999 112.391 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -117.23 -45.9 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 111.136 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.41 3.27 32.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 55.100000000000001 111.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.17 54.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.127 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.716 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -134.91 65.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 63.310000000000002 111.081 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.22 82.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 62.439999999999998 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.9 p -109.09 92.27 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 52.149999999999999 110.844 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -166.86 92.59 0.74 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.576 0.703 . . . . 50.119999999999997 110.859 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.54 18.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.726 2.284 . . . . 74.120000000000005 112.285 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -2.14 27.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.039999999999999 110.858 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -112.51 -177.72 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.5 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.629 ' HB3' HD12 ' A' ' 128' ' ' LEU . 17.6 t -151.81 153.22 33.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.899 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.3 t -69.73 105.09 2.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.866 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 44.1 t80 -108.81 147.79 31.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.5 m -125.04 156.27 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 72.099999999999994 110.879 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -116.77 -170.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.873 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -38.93 -56.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.530000000000001 110.895 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.69 -49.11 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 64.07 15.88 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.230000000000004 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.81 -12.69 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 74.409999999999997 110.864 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.548 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -125.23 44.79 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 60.240000000000002 111.081 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.1 m -54.84 160.04 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 72.219999999999999 110.93 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.06 163.98 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.925 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.7 93.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 74.409999999999997 110.849 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -106.8 133.46 51.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 55.420000000000002 110.893 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 112' ' ' ALA . 10.6 m -79.61 102.07 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.439999999999998 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.8 mt -95.53 26.48 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.3 m -101.27 -42.38 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 110.884 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.48 21.28 10.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 62.549999999999997 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -120.71 -33.36 3.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 69.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 62.399999999999999 110.866 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.925 0.393 . . . . 64.219999999999999 110.835 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.694 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -83.67 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 71.409999999999997 111.074 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.15 -66.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 64.530000000000001 111.068 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.433 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.3 m -163.07 147.21 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 52.420000000000002 111.148 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.15 40.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 72.120000000000005 110.859 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.511 ' CB ' HG13 ' A' ' 94' ' ' VAL . 9.1 t-20 -103.23 -65.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.420000000000002 110.855 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.9 m -162.63 145.93 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 110.832 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.98 -159.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 55.520000000000003 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.98 79.67 0.27 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 75.430000000000007 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 69.37 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 72.209999999999994 112.385 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.12 -45.09 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 52.520000000000003 111.089 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -91.4 3.63 54.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.219999999999999 111.109 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.45 58.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 72.239999999999995 111.098 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.694 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -135.41 66.78 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 42.520000000000003 111.076 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 175.72 81.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 61.009999999999998 110.884 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 10.5 p -107.46 65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 73.510000000000005 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.451 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 4.5 t0 -137.25 88.02 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 73.239999999999995 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -6.34 18.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.617 2.212 . . . . 74.040000000000006 112.396 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.81 -0.08 23.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.130000000000003 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -106.05 -169.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 50.32 111.146 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.438 ' HB3' HD12 ' A' ' 128' ' ' LEU . 2.3 t -157.62 147.01 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 73.010000000000005 110.841 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.36 106.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.872 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.439 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 35.4 t80 -110.67 147.24 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 110.89 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.08 155.58 38.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 71.150000000000006 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -170.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 63.219999999999999 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -40.52 -55.83 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 65.120000000000005 110.905 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.36 -47.25 37.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 75.340000000000003 110.81 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 64.22 15.35 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.030000000000001 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.73 -5.97 8.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 75.549999999999997 110.92 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.64 58.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 61.340000000000003 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 m -66.32 158.73 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.841 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.07 163.5 36.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 73.239999999999995 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.98 95.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.120000000000005 110.853 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.439 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -111.3 133.96 53.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.400000000000006 110.872 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 14.9 m -84.66 111.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 75.409999999999997 111.104 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 113' ' ' SER . 2.0 mt -103.1 25.05 9.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 61.049999999999997 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -102.33 -38.7 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.530000000000001 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt 59.73 25.58 14.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 74.530000000000001 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -121.58 -34.95 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.530000000000001 110.865 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 62.43 110.928 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.864 0.364 . . . . 70.340000000000003 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.705 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -79.67 130.61 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.200000000000003 111.111 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.44 -66.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 63.520000000000003 111.066 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.448 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.0 m -162.82 147.5 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 75.530000000000001 111.136 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.448 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.99 40.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.849 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.513 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.8 t-20 -104.75 -58.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 52.130000000000003 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -167.85 146.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.510000000000005 110.8 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -162.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 71.230000000000004 110.864 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.18 77.27 0.27 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.694 . . . . 73.010000000000005 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 68.04 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 55.140000000000001 112.396 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.04 -31.75 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.43 111.175 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -105.04 4.27 31.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 41.119999999999997 111.024 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 81.13 51.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 62.009999999999998 111.085 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -135.46 86.95 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.150000000000006 111.099 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 34.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 62.420000000000002 110.879 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.94 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 64.310000000000002 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 3.5 t0 -179.77 78.73 0.19 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 52.210000000000001 110.849 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.42 18.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 70.400000000000006 112.345 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.28 1.18 21.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.602 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -114.71 -175.23 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 74.310000000000002 111.054 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.787 ' HB3' HD12 ' A' ' 128' ' ' LEU . 36.5 t -149.22 163.0 38.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 62.140000000000001 110.868 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.23 105.8 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 54.109999999999999 110.934 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.573 ' CD1' HD21 ' A' ' 128' ' ' LEU . 46.1 t80 -109.63 147.15 33.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.140000000000001 110.928 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -125.18 159.8 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.513 . . . . 51.340000000000003 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -124.59 -168.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.120000000000005 110.937 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 28.2 m-85 -36.31 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -48.59 -50.67 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.319999999999993 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 17.44 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.37 -24.86 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB3' HH12 ' A' ' 117' ' ' ARG . . . -120.17 55.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 50.43 111.092 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.0 m -58.45 162.95 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 61.509999999999998 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -149.24 161.55 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.917 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.25 94.95 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 72.019999999999996 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.426 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 3.1 ttp180 -111.22 134.27 52.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 50.229999999999997 110.891 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.602 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.8 m -73.42 100.33 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 111.145 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.5 mt -94.78 24.12 4.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.95 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.6 m -103.91 -45.6 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.549999999999997 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.27 20.58 11.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 71.239999999999995 110.893 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -121.09 -33.44 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.852 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 71.019999999999996 110.955 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 72.319999999999993 110.813 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.722 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.5 t -89.33 126.28 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.540000000000006 111.125 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.55 -69.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 111.124 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.441 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.6 m -162.7 147.21 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 71.319999999999993 111.16 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.48 39.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 75.109999999999999 110.88 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.574 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.9 t-20 -98.96 -66.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.897 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -155.84 145.17 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.109999999999999 110.854 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -167.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 54.130000000000003 110.869 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp 69.18 77.05 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 72.340000000000003 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 70.57 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.246 . . . . 65.200000000000003 112.367 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.84 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.340000000000003 111.108 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.611 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -82.59 1.41 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 41.119999999999997 111.182 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 78.79 47.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.510000000000005 111.099 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.21 82.98 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.319999999999993 111.065 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.44 32.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 52.299999999999997 110.873 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.3 p -58.25 98.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 61.100000000000001 110.879 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -171.85 84.66 0.46 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.591 0.71 . . . . 73.230000000000004 110.932 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -6.36 18.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 73.219999999999999 112.344 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.85 -0.93 24.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.69 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -123.38 -175.5 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 72.200000000000003 111.05 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 t -154.66 166.2 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.100000000000001 110.888 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -70.38 106.85 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 61.399999999999999 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -111.3 147.5 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.019999999999996 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.99 157.51 35.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 54.350000000000001 110.861 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.563 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -118.67 -170.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.450000000000003 110.884 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -41.2 -56.75 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.409999999999997 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.24 -44.38 43.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.129999999999995 110.872 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 62.54 21.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 63.219999999999999 110.84 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 -33.96 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 74.140000000000001 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.563 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -102.91 49.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 43.119999999999997 111.12 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 34.2 m -64.37 159.07 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 54.219999999999999 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.18 165.53 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.349999999999994 110.979 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.54 96.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.72 135.32 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 65.239999999999995 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.69 HG12 ' HB2' ' A' ' 112' ' ' ALA . 6.8 m -74.54 94.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.409999999999997 111.151 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.43 24.53 3.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 73.420000000000002 110.991 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -97.61 -44.71 6.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 51.240000000000002 110.87 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt 63.06 23.76 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.049999999999997 110.862 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -122.4 -34.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 64.530000000000001 110.888 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 81.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.430000000000007 110.862 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.869 0.366 . . . . 72.109999999999999 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 98' ' ' ASN . 4.4 t -77.09 132.72 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.120000000000005 111.1 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.59 -65.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.329999999999998 111.145 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.606 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.9 m -162.62 144.13 10.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.446 . . . . 74.549999999999997 111.042 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.606 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.78 42.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.86 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 94' ' ' VAL . 14.0 t-20 -109.73 -49.38 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.219999999999999 110.829 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -179.29 148.61 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.319999999999993 110.819 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.8 m -90.33 -90.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 74.230000000000004 110.858 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 34.93 57.91 2.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 54.140000000000001 110.861 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 72.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.586 2.191 . . . . 71.129999999999995 112.391 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.64 -47.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.200000000000003 111.093 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -88.11 8.12 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 73.310000000000002 111.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.6 57.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 111.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.94 52.9 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 41.310000000000002 111.106 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.34 25.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 65.340000000000003 110.825 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.5 p -53.73 103.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 110.836 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -177.03 83.76 0.25 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 54.43 110.87 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.91 19.73 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.64 2.227 . . . . 61.520000000000003 112.331 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -0.41 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 54.219999999999999 110.861 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.688 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -119.86 -169.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 41.119999999999997 111.126 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.35 153.58 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.898 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.85 97.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 65.420000000000002 110.899 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.412 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 9.9 t80 -101.65 141.83 33.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 75.349999999999994 110.885 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.5 m -115.2 157.64 23.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 74.25 110.834 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -171.92 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 64.519999999999996 110.843 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -41.0 -55.82 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.812 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.06 -47.21 34.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 70.200000000000003 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 63.9 16.01 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 64.340000000000003 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.95 -14.99 9.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 54.009999999999998 110.892 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.12 65.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 65.349999999999994 111.125 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.5 156.76 38.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 64.450000000000003 110.898 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -143.99 161.31 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.912 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 96.75 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 70.319999999999993 110.853 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 5.2 ttm-85 -109.22 134.71 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 63.520000000000003 110.927 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.688 HG12 ' HB2' ' A' ' 112' ' ' ALA . 12.4 m -78.95 108.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 111.087 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mt -100.95 26.77 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.140000000000001 110.934 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.4 m -104.99 -43.01 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.100000000000001 110.893 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 mt 60.26 21.75 11.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -121.03 -33.67 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 53.549999999999997 110.908 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 55.130000000000003 110.9 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.766 0.317 . . . . 72.340000000000003 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.678 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.5 t -85.11 127.83 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 54.25 111.046 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.72 -66.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 52.439999999999998 111.093 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.2 m -163.24 147.29 10.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.457 . . . . 63.340000000000003 111.167 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.3 40.05 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 110.871 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.479 ' HB3' HG13 ' A' ' 94' ' ' VAL . 9.8 t-20 -104.17 -64.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.530000000000001 110.932 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -162.92 146.23 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 54.43 110.857 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 -160.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 110.922 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.61 79.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 55.310000000000002 110.9 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 69.99 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.246 . . . . 73.519999999999996 112.373 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.95 -44.35 2.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 111.139 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -90.78 3.4 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 55.219999999999999 111.096 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.82 57.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 44.340000000000003 111.165 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.678 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -136.98 66.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 51.219999999999999 111.068 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.26 68.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 60.420000000000002 110.913 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 24.1 p -92.86 41.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.841 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -110.19 82.95 2.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 75.150000000000006 110.84 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 -7.14 20.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.668 2.246 . . . . 74.120000000000005 112.387 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -0.67 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 73.439999999999998 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.431 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -110.61 -170.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 53.149999999999999 111.114 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -151.2 152.41 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 74.450000000000003 110.845 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -68.27 105.92 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 73.319999999999993 110.883 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 30.6 t80 -111.39 145.95 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.219999999999999 110.913 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.89 157.37 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.209999999999994 110.878 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -171.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.239999999999995 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -40.74 -55.67 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 110.849 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.27 -47.35 36.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 63.73 15.82 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 53.399999999999999 110.869 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -12.49 9.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.887 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.91 64.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 63.539999999999999 111.12 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.18 157.77 37.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 72.030000000000001 110.828 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.33 162.82 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 75.329999999999998 110.928 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.78 94.51 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.834 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 1.2 tpt85 -112.03 132.85 54.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 75.109999999999999 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 127' ' ' VAL . 7.6 m -76.07 96.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 51.240000000000002 111.14 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.31 24.64 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.239999999999995 110.951 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.7 m -101.92 -43.89 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.420000000000002 110.85 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.75 26.41 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 62.420000000000002 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -121.81 -35.09 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.340000000000003 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 54.43 110.917 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.877 0.37 . . . . 61.140000000000001 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.561 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.4 t -57.59 129.33 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 63.130000000000003 111.13 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.54 -66.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.040000000000006 111.092 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 97' ' ' ARG . 4.3 m -163.23 146.24 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.310000000000002 111.143 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.405 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.98 40.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 72.129999999999995 110.877 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.504 ' HB3' HG13 ' A' ' 94' ' ' VAL . 16.8 t-20 -106.16 -67.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.099999999999994 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -147.7 140.92 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 55.140000000000001 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.4 t -95.4 -70.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.430000000000007 110.793 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -40.3 102.76 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 75.230000000000004 110.922 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 53.8 Cg_endo -69.8 77.63 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 52.299999999999997 112.373 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.48 9.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 73.150000000000006 111.152 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -177.96 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 55.240000000000002 111.042 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.81 58.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.409999999999997 111.074 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.561 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.33 52.74 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 72.329999999999998 111.089 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.97 44.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 65.219999999999999 110.879 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 80.1 m -79.64 -171.54 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.350000000000001 110.879 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 4.7 t0 71.28 110.68 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.629 0.728 . . . . 75.030000000000001 110.839 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 54.2 Cg_endo -69.69 -6.84 19.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.637 2.225 . . . . 63.210000000000001 112.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.457 ' O ' HG12 ' A' ' 127' ' ' VAL . 0.6 OUTLIER -81.78 -12.32 58.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 72.319999999999993 110.877 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.02 142.47 47.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 64.099999999999994 111.111 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.14 154.59 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 52.229999999999997 110.825 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.64 97.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 70.329999999999998 110.872 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 128' ' ' LEU . 19.1 t80 -106.65 141.35 38.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -114.28 158.4 21.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 71.239999999999995 110.833 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.26 -172.01 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 71.340000000000003 110.858 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -42.3 -56.18 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.340000000000003 110.941 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.05 -43.78 30.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 73.510000000000005 110.876 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.89 20.45 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.329999999999998 110.816 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.86 -28.24 5.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 63.109999999999999 110.871 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.82 71.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 71.140000000000001 111.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -77.07 154.96 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.519999999999996 110.879 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -144.77 159.55 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.933 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 92.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 74.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.636 ' O ' HD22 ' A' ' 128' ' ' LEU . 8.1 ttm180 -100.35 133.79 44.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.945 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 111' ' ' CYS . 9.2 m -78.09 75.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 74.150000000000006 111.125 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER -60.57 -17.53 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 110.903 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -69.58 -29.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.140000000000001 110.831 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 mt 51.75 50.7 18.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 62.140000000000001 110.939 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -131.03 -40.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.329999999999998 110.907 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.219999999999999 110.887 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.859 0.362 . . . . 73.140000000000001 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 99' ' ' SER . 4.0 t -59.06 128.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.310000000000002 111.169 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.27 -68.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.150000000000006 111.118 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 97' ' ' ARG . 5.8 m -161.64 144.41 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 75.209999999999994 111.148 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.61 40.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 73.040000000000006 110.833 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.527 ' HB3' HG13 ' A' ' 94' ' ' VAL . 13.7 t-20 -106.91 -67.77 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 74.329999999999998 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.706 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -159.98 146.66 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 50.210000000000001 110.861 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.623 ' O ' ' C ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -96.43 -86.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.528 . . . . 72.409999999999997 110.88 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.623 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 16.86 68.43 0.2 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 72.340000000000003 110.888 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 76.86 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 73.530000000000001 112.342 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.29 37.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 70.310000000000002 111.136 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.84 -41.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 111.056 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.56 68.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 53.310000000000002 111.095 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.82 47.07 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 111.067 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -177.52 33.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.439999999999998 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.4 p -57.92 105.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 51.130000000000003 110.91 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.633 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -178.19 82.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 73.230000000000004 110.842 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.35 18.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 74.140000000000001 112.375 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -110.92 3.68 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 70.239999999999995 110.857 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.681 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -113.78 -170.34 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 62.219999999999999 111.03 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.8 t -149.44 144.97 26.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 72.549999999999997 110.898 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.51 93.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -84.22 135.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.240000000000002 110.902 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.6 m -127.04 159.38 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 54.509999999999998 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -127.56 -169.44 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.239999999999995 110.882 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 24.3 m-85 -36.89 -58.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 74.540000000000006 110.862 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -48.67 -50.52 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 71.409999999999997 110.88 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 63.19 20.38 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 53.149999999999999 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.33 -31.94 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.240000000000002 110.863 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' HH12 ' A' ' 117' ' ' ARG . . . -110.93 50.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.140000000000001 111.132 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.3 m -58.69 173.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 71.140000000000001 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -153.01 159.09 42.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.939 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.85 96.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.519999999999996 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -104.49 132.42 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 112' ' ' ALA . 8.3 m -85.66 96.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 73.129999999999995 111.195 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 128' ' ' LEU . 3.3 mm? -93.41 24.41 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 53.32 110.951 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.457 ' C ' HD12 ' A' ' 130' ' ' LEU . 71.0 m -98.8 -36.23 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 63.439999999999998 110.858 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 129' ' ' SER . 1.0 OUTLIER 58.62 22.21 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 70.329999999999998 110.967 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.28 -33.22 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.319999999999993 110.914 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.92 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.899 0.38 . . . . 73.340000000000003 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.706 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.3 t -79.96 120.67 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 72.430000000000007 111.151 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.19 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.019999999999996 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.7 m -163.15 148.04 11.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 111.144 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.499 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.74 43.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.109999999999999 110.863 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.487 ' CB ' HG13 ' A' ' 94' ' ' VAL . 13.1 t-20 -105.27 -68.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 110.876 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 145.86 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 42.409999999999997 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -168.79 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 75.140000000000001 110.889 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt 69.66 75.41 0.26 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.566 0.698 . . . . 55.25 110.882 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 67.55 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.659 2.239 . . . . 73.439999999999998 112.303 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.34 -39.78 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 52.210000000000001 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.99 4.08 31.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 55.140000000000001 111.096 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.99 49.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.706 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -139.78 65.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 111.102 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.26 83.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 62.240000000000002 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.4 p -108.07 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.439999999999998 110.883 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 71.46 106.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 60.100000000000001 110.897 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.51 18.78 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.659 2.24 . . . . 52.149999999999999 112.286 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.53 -10.58 58.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 62.409999999999997 110.927 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -106.48 164.97 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 42.130000000000003 111.124 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -143.75 151.63 40.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 61.420000000000002 110.848 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.4 t -70.57 102.84 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 65.140000000000001 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 27.2 t80 -109.0 146.18 34.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 54.119999999999997 110.938 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.7 m -122.6 157.68 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 43.32 110.916 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -121.99 -169.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.877 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' ARG . 3.6 m-85 -36.09 -61.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.902 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.1 -51.01 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.855 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 63.58 15.94 9.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.010000000000005 110.851 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.09 -26.52 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.450000000000003 110.824 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.95 51.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 62.25 111.172 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 36.9 m -56.97 161.88 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 62.130000000000003 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -148.87 159.91 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 71.409999999999997 110.92 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.18 88.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.129999999999995 110.881 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.6 ttt-85 -99.63 133.43 43.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 110.864 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 112' ' ' ALA . 11.7 m -82.46 106.32 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 60.43 111.093 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.92 27.91 4.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.150000000000006 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 65.0 m -99.3 -51.43 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 70.219999999999999 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.0 mt 61.54 27.03 16.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 74.230000000000004 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -150.58 35.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 71.340000000000003 110.84 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.430000000000007 110.839 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.865 0.364 . . . . 71.430000000000007 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 98' ' ' ASN . 0.6 OUTLIER -84.34 139.14 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 71.530000000000001 111.058 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 94' ' ' VAL . . . -86.38 -165.73 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 32.450000000000003 111.127 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.594 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.3 m -63.95 135.39 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.172 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.594 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 40.7 38.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 63.409999999999997 110.925 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.606 ' HB3' HG22 ' A' ' 94' ' ' VAL . 26.7 t-20 -88.2 -66.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 72.530000000000001 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.501 ' HB3' HG21 ' A' ' 94' ' ' VAL . 8.4 t -162.03 144.42 11.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.019999999999996 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 -168.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 63.32 110.86 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.15 71.81 0.46 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 71.420000000000002 110.875 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.34 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 74.409999999999997 112.35 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.53 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 43.229999999999997 111.083 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -111.37 -33.35 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.099999999999994 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -179.56 61.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 70.019999999999996 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.49 67.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 61.350000000000001 111.095 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.5 OUTLIER 178.9 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.929 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 m -57.09 -175.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 51.549999999999997 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 67.56 98.24 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 72.219999999999999 110.85 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.87 19.64 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 75.310000000000002 112.34 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -6.39 55.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.299999999999997 110.885 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.12 161.46 15.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.049999999999997 111.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 t -140.51 156.11 46.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 65.409999999999997 110.846 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.04 102.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 51.310000000000002 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.402 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 48.8 t80 -109.7 147.85 32.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 73.129999999999995 110.892 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.4 m -125.52 157.58 36.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 73.340000000000003 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.619 ' HE ' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -117.95 -171.13 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.239999999999995 110.886 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -42.14 -57.59 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.530000000000001 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.2 -42.4 29.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 60.539999999999999 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.38 16.36 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 72.409999999999997 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.2 -29.15 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 62.509999999999998 110.917 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.619 ' HB3' ' HE ' ' A' ' 117' ' ' ARG . . . -103.81 57.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 61.43 111.061 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.3 m -78.63 161.81 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 71.150000000000006 110.831 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.61 174.38 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 72.329999999999998 110.893 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.1 86.87 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 63.240000000000002 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 1.5 tpt180 -96.84 134.1 40.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 62.100000000000001 110.813 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 127' ' ' VAL . 10.7 m -79.07 103.74 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 53.030000000000001 111.073 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.56 24.56 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 63.200000000000003 110.923 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.3 m -99.6 -29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 110.87 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mt 58.29 25.4 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.450000000000003 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -141.27 24.02 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 63.439999999999998 110.813 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.350000000000001 110.884 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.86 0.362 . . . . 54.539999999999999 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.2 t -75.37 117.45 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.109999999999999 111.122 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.27 -70.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 111.06 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.418 HG22 ' HD2' ' A' ' 97' ' ' ARG . 3.5 m -162.71 148.74 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 60.210000000000001 111.071 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.76 42.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 63.039999999999999 110.876 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.506 ' HB3' HG13 ' A' ' 94' ' ' VAL . 17.3 t-20 -105.12 -68.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.858 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -152.35 144.95 24.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.129999999999995 110.878 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.9 -168.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.873 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.47 78.96 0.28 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.694 . . . . 65.150000000000006 110.923 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 69.24 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 73.530000000000001 112.415 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.28 -43.25 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 111.122 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -88.31 5.07 43.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.11 54.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.040000000000006 111.122 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -140.74 87.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.140000000000001 111.147 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 54.130000000000003 110.824 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.5 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.439999999999998 110.848 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 67.27 84.91 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 60.020000000000003 110.849 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.767 2.311 . . . . 74.230000000000004 112.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -10.41 58.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.539999999999999 110.895 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.575 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -98.43 -170.9 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 111.142 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 t -154.24 156.35 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 61.039999999999999 110.868 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.1 t -71.47 104.36 3.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 70.099999999999994 110.85 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -107.72 146.45 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 72.549999999999997 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 53.6 m -123.28 157.24 33.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 72.540000000000006 110.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -171.82 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.886 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -41.14 -56.27 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.895 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.41 -46.21 37.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 110.84 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.87 16.14 9.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 63.350000000000001 110.848 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -11.94 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.827 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 57.77 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.138 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -70.4 161.41 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 73.150000000000006 110.906 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.4 161.05 42.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.310000000000002 110.888 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.98 90.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 73.329999999999998 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -103.9 133.95 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.319999999999993 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.575 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 6.8 m -74.68 95.96 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 61.5 111.173 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.24 24.12 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.2 t -102.97 -51.0 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 63.219999999999999 110.885 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.8 mt 62.11 26.66 16.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 43.210000000000001 110.85 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -141.13 24.32 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.808 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.874 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.909 0.385 . . . . 44.229999999999997 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.3 t -77.63 119.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 70.150000000000006 111.077 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.25 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 62.149999999999999 111.009 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.419 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.4 m -162.41 147.41 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.019999999999996 111.151 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.66 41.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.040000000000006 110.838 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.52 ' HB3' HG13 ' A' ' 94' ' ' VAL . 15.6 t-20 -106.19 -58.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.54 142.25 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.846 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.3 m -86.76 -88.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.439999999999998 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 25.54 63.63 0.48 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 73.439999999999998 110.857 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 73.3 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.763 2.309 . . . . 65.010000000000005 112.34 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.76 -43.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.239999999999995 111.137 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -85.65 5.07 33.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.08 56.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 65.510000000000005 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -138.5 63.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 53.409999999999997 111.134 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.420000000000002 110.937 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.3 p -60.68 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 71.030000000000001 110.82 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.8 m-20 70.25 98.52 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 60.210000000000001 110.889 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.7 Cg_endo -69.74 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.64 2.227 . . . . 74.120000000000005 112.371 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 -10.82 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.219999999999999 110.914 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -104.48 172.64 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.409999999999997 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -146.95 144.82 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.020000000000003 110.908 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.4 t -66.75 100.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 62.219999999999999 110.885 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.15 141.87 39.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.530000000000001 110.949 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 36.6 m -115.84 159.25 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 65.239999999999995 110.946 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.49 -171.68 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.019999999999996 110.879 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -41.41 -56.49 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 75.030000000000001 110.884 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.39 -46.22 36.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 63.25 16.38 9.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.91 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.47 -18.6 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 110.897 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.7 62.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 54.399999999999999 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.75 157.77 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 71.239999999999995 110.901 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -146.96 158.36 43.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 64.420000000000002 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.04 91.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 62.350000000000001 110.889 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.93 133.48 46.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 110.903 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 112' ' ' ALA . 8.8 m -83.44 96.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 63.100000000000001 111.149 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 128' ' ' LEU . 3.5 mm? -93.32 34.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.340000000000003 110.915 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.62 -41.73 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.84 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt 60.44 21.85 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.510000000000005 110.922 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -121.37 -33.47 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.209999999999994 110.815 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 51.149999999999999 110.864 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.891 0.377 . . . . 54.329999999999998 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.802 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.2 t -79.13 125.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 111.129 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.05 -69.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 73.140000000000001 111.138 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.435 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.8 m -163.37 145.6 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.349999999999994 111.171 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.37 39.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 62.210000000000001 110.871 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.497 ' HB3' HG13 ' A' ' 94' ' ' VAL . 18.3 t-20 -104.36 -66.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 63.43 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -156.16 144.96 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 51.109999999999999 110.859 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.66 ' O ' ' C ' ' A' ' 101' ' ' LYS . 45.2 t -97.98 -89.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.109999999999999 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.66 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 10.52 76.98 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 64.340000000000003 110.824 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 66.98 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.781 2.321 . . . . 73.310000000000002 112.327 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -118.66 -49.83 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 111.091 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.598 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -84.07 3.67 33.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 55.329999999999998 111.125 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 78.51 54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.120000000000005 111.072 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.802 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -131.53 65.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.120000000000005 111.126 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.84 34.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.230000000000004 110.886 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 23.3 p -61.62 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 63.549999999999997 110.842 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.4 t70 69.89 100.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.541 0.686 . . . . 73.310000000000002 110.921 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.2 Cg_endo -69.69 -6.38 18.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.733 2.288 . . . . 64.340000000000003 112.333 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.12 -10.93 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 74.319999999999993 110.898 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -113.68 157.85 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 72.430000000000007 111.092 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.3 t -131.64 148.48 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.120000000000005 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 30.5 t -67.6 97.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 71.319999999999993 110.858 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 19.2 t80 -100.36 144.23 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 64.010000000000005 110.937 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.4 m -119.19 157.14 28.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 64.439999999999998 110.949 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 -171.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.938 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.29 -56.68 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.450000000000003 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.2 -46.08 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 110.907 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 63.5 18.27 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.230000000000004 110.882 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -24.37 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 52.130000000000003 110.788 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.6 67.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.043 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 21.2 m -76.26 157.81 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.299999999999997 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -146.49 157.98 43.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 64.340000000000003 111.038 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -72.65 92.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.109999999999999 110.821 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.1 ttm-85 -105.27 133.05 50.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 74.510000000000005 110.818 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 16.1 m -80.22 117.06 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 73.010000000000005 111.083 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.43 24.51 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.450000000000003 110.905 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -99.37 -33.93 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 65.239999999999995 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.6 mt 58.84 24.92 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 70.439999999999998 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -122.35 -34.64 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 52.310000000000002 110.888 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.856 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.893 0.378 . . . . 64.120000000000005 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.719 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -80.45 127.94 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.109999999999999 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -67.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 71.120000000000005 111.09 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.415 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.1 m -162.91 148.8 12.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 43.43 111.124 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.87 40.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.200000000000003 110.885 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.535 ' CB ' HG13 ' A' ' 94' ' ' VAL . 7.8 t-20 -106.09 -55.31 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 62.439999999999998 110.93 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -170.44 147.04 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.109999999999999 110.792 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 -160.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.340000000000003 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.7 80.14 0.24 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.583 0.706 . . . . 73.299999999999997 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 72.43 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.281 . . . . 63.149999999999999 112.362 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.47 -41.12 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.219999999999999 111.042 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.6 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -93.93 3.45 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.19 55.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.530000000000001 111.069 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.719 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -143.96 86.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.030000000000001 111.1 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.85 34.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 62.219999999999999 110.835 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 p -76.55 116.66 17.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 63.140000000000001 110.844 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.529 ' CG ' ' HB2' ' A' ' 112' ' ' ALA . 66.3 t0 -173.7 117.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 52.439999999999998 110.842 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 135.2 29.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.278 . . . . 74.540000000000006 112.306 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.3 t 67.33 14.73 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 73.120000000000005 110.799 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 109' ' ' ASP . . . -89.15 163.85 15.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 52.439999999999998 111.059 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.694 ' OG ' HD12 ' A' ' 128' ' ' LEU . 8.9 p -152.14 147.88 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 55.119999999999997 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.89 105.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.439999999999998 110.882 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.725 ' HB2' HD11 ' A' ' 128' ' ' LEU . 25.8 t80 -110.78 145.85 37.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 72.430000000000007 110.893 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.3 m -122.56 157.4 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 61.100000000000001 110.805 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -171.5 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 63.210000000000001 110.905 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -41.22 -56.06 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.888 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.36 -46.13 36.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 74.420000000000002 110.83 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 63.91 15.9 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 65.019999999999996 110.883 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.43 -11.7 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 64.319999999999993 110.909 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.87 65.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 52.039999999999999 111.067 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 16.5 m -73.24 156.07 38.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 72.150000000000006 110.907 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.91 162.25 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 94.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 60.43 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.49 133.24 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.340000000000003 110.908 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 112' ' ' ALA . 6.0 m -75.42 97.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.439999999999998 111.069 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 115' ' ' TYR . 2.7 mt -92.92 39.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 110.919 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.7 m -108.1 -41.22 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 72.150000000000006 110.837 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mt 62.79 16.72 9.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.967 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.85 -31.48 4.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 71.209999999999994 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 63.43 110.917 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.355 . . . . 73.55 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 98' ' ' ASN . 4.1 t -70.03 118.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.16 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.74 -71.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.153 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.436 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.6 m -162.37 147.81 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.24 111.201 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.55 41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.803 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.487 ' HB3' HG13 ' A' ' 94' ' ' VAL . 9.7 t-20 -109.38 -65.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 65.45 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -156.7 147.11 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 54.25 110.868 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.665 ' O ' ' C ' ' A' ' 101' ' ' LYS . 41.7 t -97.16 -87.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 65.4 110.893 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER 8.91 78.13 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 72.53 110.889 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 74.25 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 45.33 112.41 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -76.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.126 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.08 -33.85 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 65.13 111.051 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.69 68.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 61.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.19 47.63 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 43.34 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -173.43 31.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 63.34 110.918 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 p -59.51 110.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 63.13 110.854 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -179.3 86.05 0.21 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.599 0.714 . . . . 73.01 110.889 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 43.5 112.397 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.59 0.08 18.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 54.33 110.923 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -123.53 -173.7 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 63.24 111.126 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB3' HD12 ' A' ' 128' ' ' LEU . 1.8 t -152.36 157.92 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.866 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 45.5 t -69.2 98.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.402 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 21.0 t80 -100.17 144.93 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.43 110.919 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.6 m -121.03 157.6 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 63.24 110.865 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 -171.74 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.822 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -41.35 -56.54 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 73.32 110.853 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.85 -45.86 41.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 74.35 110.893 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 63.48 18.43 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 72.1 110.928 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.2 -24.5 6.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 53.52 110.907 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 63.55 111.086 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.0 m -70.88 157.8 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.43 159.3 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.993 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.27 95.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.883 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 7.0 ttm180 -107.07 134.34 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.32 110.83 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' A' ' 112' ' ' ALA . 10.4 m -77.27 104.1 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.5 mt -97.31 28.87 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t -106.96 -42.98 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.894 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 mt 58.72 21.99 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.13 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -121.79 -33.61 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.878 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.933 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.869 0.366 . . . . 72.23 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.556 HG13 ' HB3' ' A' ' 98' ' ' ASN . 3.7 t -71.06 120.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.01 111.105 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.95 -67.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 44.12 111.14 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.408 HG22 ' HD2' ' A' ' 97' ' ' ARG . 5.3 m -162.17 148.64 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.161 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.36 41.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 70.33 110.884 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.556 ' HB3' HG13 ' A' ' 94' ' ' VAL . 8.4 t-20 -103.61 -67.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 t -155.09 144.08 20.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 73.13 110.861 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -168.49 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 75.33 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 75.9 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 73.21 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 82.06 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.621 2.214 . . . . 70.41 112.345 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -55.38 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 72.22 111.103 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.82 -49.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 71.11 111.155 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.77 62.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 75.41 111.046 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.21 60.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.42 111.127 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.1 34.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.6 m -52.43 100.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.871 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 3.6 t0 -179.61 82.44 0.2 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 62.42 110.877 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 71.54 112.336 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.25 3.61 18.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 71.43 110.881 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.658 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -122.94 -176.52 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.33 111.106 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.502 ' HB3' HD12 ' A' ' 128' ' ' LEU . 1.6 t -153.44 162.92 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 70.01 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 31.5 t -67.49 107.22 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 64.05 110.86 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -111.4 146.63 36.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.943 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.04 158.59 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 61.22 110.924 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -171.79 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 61.35 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.14 -57.76 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 70.32 110.862 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.77 -43.3 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.55 110.883 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 62.43 21.8 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.878 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -33.23 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.857 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.33 60.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.089 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.0 m -74.45 159.4 32.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.05 110.885 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.95 163.49 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.23 110.932 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.82 96.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.901 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.94 135.51 47.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.847 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.658 HG12 ' HB2' ' A' ' 112' ' ' ALA . 8.0 m -73.39 100.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.3 111.1 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.6 mt -94.75 24.86 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 73.15 110.937 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -103.44 -45.74 4.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 62.03 110.845 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 mt 61.57 23.51 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 62.13 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -121.72 -34.35 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.935 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 72.22 110.942 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' A' ' 98' ' ' ASN . 12.3 t -63.59 130.32 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 62.04 111.154 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.9 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.457 HG22 ' HD2' ' A' ' 97' ' ' ARG . 3.5 m -163.43 148.24 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 71.54 111.129 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.28 40.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 62.04 110.835 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.638 ' CB ' HG13 ' A' ' 94' ' ' VAL . 6.3 t-20 -102.32 -64.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 71.03 110.921 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.8 t -160.45 146.01 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 70.43 110.845 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.91 -169.87 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 61.22 110.881 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.13 71.0 0.85 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 72.15 110.861 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 77.63 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 74.23 112.354 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.16 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 55.43 111.072 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.35 -32.33 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.41 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -169.94 89.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 70.5 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -161.29 43.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.22 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 24.2 t -176.12 55.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 62.44 110.807 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.13 67.76 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -159.41 84.43 2.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.69 0.757 . . . . 62.13 110.912 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.4 18.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 60.32 112.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.83 -2.02 36.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.91 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -108.71 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.55 111.125 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 t -151.32 151.07 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.888 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.15 104.26 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 10.7 t80 -111.0 143.28 41.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.91 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.5 m -118.59 159.87 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 71.15 110.882 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.97 -171.88 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -41.43 -57.56 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.836 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.56 -45.61 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 63.56 16.01 9.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 73.53 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -15.49 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.838 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.89 60.4 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 52.23 111.065 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -69.95 158.74 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.17 159.54 44.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 61.31 110.933 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.62 91.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 71.1 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 12.0 ttp85 -103.57 134.14 47.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 75.35 110.919 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.4 m -75.47 96.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 72.33 111.122 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.89 26.3 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.903 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.2 t -100.21 -34.11 10.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.5 mt 58.19 22.36 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 72.11 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -121.35 -33.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 41.54 110.824 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 72.0 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.824 HG23 ' HB1' ' A' ' 106' ' ' ALA . 3.3 t -80.84 130.44 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.54 111.099 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.37 -66.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.093 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.443 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.2 m -162.8 146.82 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 73.14 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.443 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.47 39.81 0.52 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 74.12 110.876 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.606 ' CB ' HG13 ' A' ' 94' ' ' VAL . 6.3 t-20 -106.42 -46.22 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.867 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.57 146.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.818 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.92 -159.85 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 63.43 110.912 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.23 78.84 0.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.515 0.674 . . . . 74.45 110.959 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 68.76 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 73.02 112.325 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.96 -51.57 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 71.3 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.626 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -84.51 3.24 37.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.54 111.098 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.14 62.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 71.53 111.08 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.824 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -149.33 85.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.094 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.76 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.876 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.2 m -54.2 100.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 63.54 110.858 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.5 OUTLIER 179.5 77.81 0.17 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 71.43 110.897 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -6.87 19.6 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.73 2.287 . . . . 74.35 112.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 5.87 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 75.32 110.881 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.708 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -111.97 -169.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 74.12 111.091 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.486 ' HB3' HD12 ' A' ' 128' ' ' LEU . 0.3 OUTLIER -152.49 157.92 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 54.14 110.899 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.6 t -68.7 105.9 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 42.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.509 ' HD2' HD21 ' A' ' 128' ' ' LEU . 25.1 t80 -99.72 138.7 36.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.982 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 70.5 m -126.0 157.5 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 65.31 110.824 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -171.38 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 74.1 110.878 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -41.66 -57.7 2.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.866 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.35 -43.9 33.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.908 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 64.94 21.08 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.62 -31.23 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.876 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.71 65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.22 111.06 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 37.5 m -78.08 158.7 29.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 30.34 110.896 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 161.99 39.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.836 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.49 95.06 2.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 60.21 110.859 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 26.5 ttt-85 -104.04 133.05 49.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 62.42 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.708 HG12 ' HB2' ' A' ' 112' ' ' ALA . 9.1 m -80.87 99.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 55.3 111.167 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.509 HD21 ' HD2' ' A' ' 115' ' ' TYR . 1.7 mt -93.86 26.62 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.939 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -104.22 -46.52 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.32 110.87 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.9 mt 60.93 18.84 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -121.13 -32.52 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 74.13 110.847 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.13 110.895 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.887 0.375 . . . . 70.43 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.703 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.8 t -84.69 129.56 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.57 -66.23 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 71.33 111.109 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 97' ' ' ARG . 6.8 m -162.89 147.42 11.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 71.43 111.132 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.39 41.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.875 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.564 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.4 t-20 -102.8 -69.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 60.31 110.863 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -155.9 146.71 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 70.14 110.888 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.61 -167.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.32 79.59 0.21 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 63.31 110.859 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 68.89 1.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.74 2.294 . . . . 41.44 112.316 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.31 -49.09 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 72.44 111.04 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.68 3.26 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 45.53 111.115 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.55 51.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.53 111.027 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.703 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -128.58 67.19 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 63.02 111.119 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.19 76.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 63.25 110.942 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.82 56.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -124.85 85.45 57.31 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 73.11 110.926 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -7.01 19.97 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.671 2.248 . . . . 70.34 112.333 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 0.55 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -114.44 -170.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.095 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 t -152.9 151.41 30.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.879 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.0 t -68.17 105.29 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 53.45 110.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 39.2 t80 -109.34 148.02 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.933 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.7 m -126.08 156.93 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 63.2 110.895 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.556 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -116.08 -170.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.885 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -39.48 -56.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 63.21 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.15 -48.28 53.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.885 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.42 16.18 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 73.23 110.861 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.56 -16.14 9.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 33.44 110.837 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.556 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -123.22 48.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 52.5 111.121 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.51 161.24 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.01 110.856 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -152.2 164.1 38.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.38 94.81 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.5 ttt-85 -110.45 133.64 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.4 m -75.48 96.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 75.22 111.106 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.91 24.67 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.955 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -100.47 -45.74 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 73.1 110.857 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 mt 62.49 22.14 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.959 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -120.52 -34.0 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 61.13 110.92 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.889 0.376 . . . . 75.42 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 98' ' ' ASN . 6.6 t -68.87 127.59 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 63.54 111.08 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -68.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 62.33 111.12 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.678 HG23 ' OD2' ' A' ' 109' ' ' ASP . 5.0 m -162.18 144.04 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 52.41 111.163 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.609 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.02 41.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.891 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.61 ' HB3' HG13 ' A' ' 94' ' ' VAL . 11.1 t-20 -100.81 -67.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.934 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.2 t -157.96 147.2 19.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.44 110.956 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -169.6 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 61.93 74.91 0.46 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.516 0.675 . . . . 60.13 110.819 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 80.61 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.637 2.225 . . . . 54.14 112.339 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.18 -44.58 52.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.25 -40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.21 111.133 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -173.04 69.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 42.35 111.163 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.33 49.55 2.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 74.21 111.154 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 179.79 51.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.885 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 26.0 p -89.57 15.0 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.686 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 28.1 t0 -59.04 112.74 5.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 71.51 110.851 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.16 27.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.263 . . . . 63.32 112.368 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 t 67.19 12.02 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 54.43 110.898 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.686 ' HB3' ' HB3' ' A' ' 109' ' ' ASP . . . -110.2 151.92 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 50.45 111.1 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -129.7 159.42 36.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 61.32 110.837 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.7 t -66.92 99.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 65.43 110.849 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.569 ' HB2' HD11 ' A' ' 128' ' ' LEU . 19.2 t80 -107.43 144.66 34.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 65.21 110.879 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.9 m -120.99 158.5 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.13 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -172.02 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -42.2 -57.1 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.5 -44.21 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.846 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 63.81 16.09 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.832 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.01 -15.99 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.813 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.83 66.08 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.32 111.103 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.0 m -77.83 164.96 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 54.23 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 165.43 32.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.876 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.9 94.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 54.02 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.44 133.69 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' A' ' 112' ' ' ALA . 9.0 m -80.53 100.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 75.15 111.12 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -93.37 22.44 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.962 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -94.13 -29.47 15.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 52.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.84 24.39 9.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 75.22 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -122.8 -34.56 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.52 110.881 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.15 110.964 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.93 0.395 . . . . 74.23 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.716 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.7 t -77.77 131.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 75.12 111.09 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 -67.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.138 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.449 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.1 m -163.31 146.43 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.32 111.155 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.3 40.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.88 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.59 ' CB ' HG13 ' A' ' 94' ' ' VAL . 5.0 t-20 -100.17 -66.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 50.53 110.868 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -157.28 148.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 52.44 110.852 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.81 -167.98 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 51.23 110.906 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp 70.41 75.82 0.24 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 65.12 110.909 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 67.31 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.656 2.237 . . . . 61.4 112.391 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -117.23 -45.9 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.136 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.41 3.27 32.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 55.1 111.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.17 54.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.127 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.716 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -134.91 65.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 63.31 111.081 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.22 82.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 62.44 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.9 p -109.09 92.27 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 52.15 110.844 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -166.86 92.59 0.74 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.576 0.703 . . . . 50.12 110.859 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.54 18.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.726 2.284 . . . . 74.12 112.285 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -2.14 27.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.04 110.858 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -112.51 -177.72 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.5 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.629 ' HB3' HD12 ' A' ' 128' ' ' LEU . 17.6 t -151.81 153.22 33.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.899 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.3 t -69.73 105.09 2.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.866 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 44.1 t80 -108.81 147.79 31.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.5 m -125.04 156.27 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 72.1 110.879 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -116.77 -170.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.873 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -38.93 -56.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.895 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.69 -49.11 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 64.07 15.88 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.81 -12.69 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.864 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.548 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -125.23 44.79 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 60.24 111.081 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.1 m -54.84 160.04 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 72.22 110.93 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.06 163.98 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.925 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.7 93.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.849 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -106.8 133.46 51.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 55.42 110.893 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 112' ' ' ALA . 10.6 m -79.61 102.07 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.44 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.8 mt -95.53 26.48 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.3 m -101.27 -42.38 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.884 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.48 21.28 10.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 62.55 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -120.71 -33.36 3.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 69.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 62.4 110.866 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.925 0.393 . . . . 64.22 110.835 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.694 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -83.67 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 71.41 111.074 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.15 -66.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 64.53 111.068 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.433 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.3 m -163.07 147.21 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 52.42 111.148 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.15 40.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 72.12 110.859 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.511 ' CB ' HG13 ' A' ' 94' ' ' VAL . 9.1 t-20 -103.23 -65.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.855 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.9 m -162.63 145.93 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.15 110.832 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.98 -159.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 55.52 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.98 79.67 0.27 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 75.43 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 69.37 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 72.21 112.385 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.12 -45.09 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 52.52 111.089 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -91.4 3.63 54.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.109 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.45 58.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.098 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.694 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -135.41 66.78 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 42.52 111.076 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 175.72 81.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 61.01 110.884 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 10.5 p -107.46 65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 73.51 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.451 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 4.5 t0 -137.25 88.02 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 73.24 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -6.34 18.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.617 2.212 . . . . 74.04 112.396 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.81 -0.08 23.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.13 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -106.05 -169.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 50.32 111.146 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.438 ' HB3' HD12 ' A' ' 128' ' ' LEU . 2.3 t -157.62 147.01 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 73.01 110.841 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.36 106.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.872 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.439 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 35.4 t80 -110.67 147.24 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.89 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.08 155.58 38.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 71.15 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -170.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 63.22 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -40.52 -55.83 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 65.12 110.905 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.36 -47.25 37.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 75.34 110.81 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 64.22 15.35 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.73 -5.97 8.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 75.55 110.92 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.64 58.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 61.34 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 m -66.32 158.73 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.841 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.07 163.5 36.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.98 95.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.439 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -111.3 133.96 53.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.4 110.872 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 14.9 m -84.66 111.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.104 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 113' ' ' SER . 2.0 mt -103.1 25.05 9.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 61.05 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -102.33 -38.7 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.53 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt 59.73 25.58 14.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 74.53 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -121.58 -34.95 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.53 110.865 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 62.43 110.928 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.864 0.364 . . . . 70.34 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.705 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -79.67 130.61 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.2 111.111 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.44 -66.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 63.52 111.066 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.448 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.0 m -162.82 147.5 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.136 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.448 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.99 40.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.849 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.513 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.8 t-20 -104.75 -58.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 52.13 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -167.85 146.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.8 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -162.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 71.23 110.864 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.18 77.27 0.27 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.694 . . . . 73.01 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 68.04 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 55.14 112.396 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.04 -31.75 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.43 111.175 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -105.04 4.27 31.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 41.12 111.024 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 81.13 51.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 62.01 111.085 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -135.46 86.95 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.15 111.099 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 34.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 62.42 110.879 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.94 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 64.31 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 3.5 t0 -179.77 78.73 0.19 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 52.21 110.849 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.42 18.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 70.4 112.345 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.28 1.18 21.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.602 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -114.71 -175.23 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 74.31 111.054 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.787 ' HB3' HD12 ' A' ' 128' ' ' LEU . 36.5 t -149.22 163.0 38.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 62.14 110.868 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.23 105.8 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 54.11 110.934 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.573 ' CD1' HD21 ' A' ' 128' ' ' LEU . 46.1 t80 -109.63 147.15 33.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.928 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -125.18 159.8 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.513 . . . . 51.34 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -124.59 -168.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.937 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 28.2 m-85 -36.31 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -48.59 -50.67 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.32 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 17.44 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.37 -24.86 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB3' HH12 ' A' ' 117' ' ' ARG . . . -120.17 55.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 50.43 111.092 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.0 m -58.45 162.95 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 61.51 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -149.24 161.55 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.917 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.25 94.95 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 72.02 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.426 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 3.1 ttp180 -111.22 134.27 52.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 50.23 110.891 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.602 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.8 m -73.42 100.33 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.32 111.145 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.5 mt -94.78 24.12 4.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.95 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.6 m -103.91 -45.6 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.55 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.27 20.58 11.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 71.24 110.893 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -121.09 -33.44 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.852 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 71.02 110.955 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 72.32 110.813 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.722 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.5 t -89.33 126.28 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.125 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.55 -69.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.124 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.441 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.6 m -162.7 147.21 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 71.32 111.16 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.48 39.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.88 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.574 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.9 t-20 -98.96 -66.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.897 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -155.84 145.17 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.854 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -167.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 54.13 110.869 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp 69.18 77.05 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 72.34 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 70.57 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.246 . . . . 65.2 112.367 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.84 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.34 111.108 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.611 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -82.59 1.41 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 41.12 111.182 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 78.79 47.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.51 111.099 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.21 82.98 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.065 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.44 32.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 52.3 110.873 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.3 p -58.25 98.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 61.1 110.879 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -171.85 84.66 0.46 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.591 0.71 . . . . 73.23 110.932 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -6.36 18.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 73.22 112.344 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.85 -0.93 24.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.69 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -123.38 -175.5 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 72.2 111.05 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 t -154.66 166.2 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.1 110.888 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -70.38 106.85 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 61.4 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -111.3 147.5 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.99 157.51 35.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 54.35 110.861 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.563 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -118.67 -170.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.45 110.884 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -41.2 -56.75 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.24 -44.38 43.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.13 110.872 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 62.54 21.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 63.22 110.84 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 -33.96 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 74.14 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.563 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -102.91 49.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 43.12 111.12 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 34.2 m -64.37 159.07 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 54.22 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.18 165.53 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.979 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.54 96.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.72 135.32 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 65.24 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.69 HG12 ' HB2' ' A' ' 112' ' ' ALA . 6.8 m -74.54 94.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.41 111.151 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.43 24.53 3.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.991 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -97.61 -44.71 6.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 51.24 110.87 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt 63.06 23.76 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.05 110.862 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -122.4 -34.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 64.53 110.888 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 81.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.862 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.869 0.366 . . . . 72.11 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 98' ' ' ASN . 4.4 t -77.09 132.72 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.12 111.1 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.59 -65.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.33 111.145 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.606 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.9 m -162.62 144.13 10.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.446 . . . . 74.55 111.042 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.606 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.78 42.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.86 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 94' ' ' VAL . 14.0 t-20 -109.73 -49.38 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.829 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -179.29 148.61 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.32 110.819 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.8 m -90.33 -90.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.858 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 34.93 57.91 2.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 54.14 110.861 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 72.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.586 2.191 . . . . 71.13 112.391 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.64 -47.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.2 111.093 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -88.11 8.12 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.6 57.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.51 111.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.94 52.9 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 41.31 111.106 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.34 25.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 65.34 110.825 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.5 p -53.73 103.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.836 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -177.03 83.76 0.25 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 54.43 110.87 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.91 19.73 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.64 2.227 . . . . 61.52 112.331 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -0.41 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 54.22 110.861 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.688 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -119.86 -169.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 41.12 111.126 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.35 153.58 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.898 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.85 97.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 65.42 110.899 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.412 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 9.9 t80 -101.65 141.83 33.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 75.35 110.885 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.5 m -115.2 157.64 23.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 74.25 110.834 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -171.92 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 64.52 110.843 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -41.0 -55.82 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.812 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.06 -47.21 34.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 70.2 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 63.9 16.01 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 64.34 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.95 -14.99 9.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 54.01 110.892 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.12 65.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 65.35 111.125 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.5 156.76 38.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 64.45 110.898 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -143.99 161.31 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.912 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 96.75 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 70.32 110.853 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 5.2 ttm-85 -109.22 134.71 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 63.52 110.927 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.688 HG12 ' HB2' ' A' ' 112' ' ' ALA . 12.4 m -78.95 108.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 73.12 111.087 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mt -100.95 26.77 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.934 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.4 m -104.99 -43.01 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.1 110.893 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 mt 60.26 21.75 11.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -121.03 -33.67 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 53.55 110.908 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 55.13 110.9 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.766 0.317 . . . . 72.34 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.678 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.5 t -85.11 127.83 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 54.25 111.046 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.72 -66.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 52.44 111.093 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.2 m -163.24 147.29 10.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.457 . . . . 63.34 111.167 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.3 40.05 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.871 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.479 ' HB3' HG13 ' A' ' 94' ' ' VAL . 9.8 t-20 -104.17 -64.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.932 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -162.92 146.23 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 54.43 110.857 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 -160.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.31 110.922 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.61 79.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 55.31 110.9 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 69.99 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.246 . . . . 73.52 112.373 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.95 -44.35 2.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.139 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -90.78 3.4 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 55.22 111.096 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.82 57.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 44.34 111.165 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.678 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -136.98 66.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 51.22 111.068 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.26 68.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 60.42 110.913 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 24.1 p -92.86 41.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.841 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -110.19 82.95 2.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 75.15 110.84 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 -7.14 20.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.668 2.246 . . . . 74.12 112.387 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -0.67 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.431 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -110.61 -170.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 53.15 111.114 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -151.2 152.41 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 74.45 110.845 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -68.27 105.92 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.883 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 30.6 t80 -111.39 145.95 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.913 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.89 157.37 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.878 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -171.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -40.74 -55.67 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.849 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.27 -47.35 36.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 63.73 15.82 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 53.4 110.869 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -12.49 9.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.887 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.91 64.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 63.54 111.12 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.18 157.77 37.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 72.03 110.828 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.33 162.82 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.928 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.78 94.51 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 75.54 110.834 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 1.2 tpt85 -112.03 132.85 54.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 75.11 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 127' ' ' VAL . 7.6 m -76.07 96.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 51.24 111.14 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.31 24.64 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.7 m -101.92 -43.89 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.42 110.85 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.75 26.41 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 62.42 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -121.81 -35.09 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 54.43 110.917 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.877 0.37 . . . . 61.14 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.561 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.4 t -57.59 129.33 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 63.13 111.13 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.54 -66.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.04 111.092 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 97' ' ' ARG . 4.3 m -163.23 146.24 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.143 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.405 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.98 40.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.877 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.504 ' HB3' HG13 ' A' ' 94' ' ' VAL . 16.8 t-20 -106.16 -67.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.1 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -147.7 140.92 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 55.14 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.4 t -95.4 -70.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.793 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -40.3 102.76 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 75.23 110.922 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 53.8 Cg_endo -69.8 77.63 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 52.3 112.373 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.48 9.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 73.15 111.152 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -177.96 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 55.24 111.042 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.81 58.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.41 111.074 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.561 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.33 52.74 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 72.33 111.089 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.97 44.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 65.22 110.879 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 80.1 m -79.64 -171.54 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.35 110.879 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 4.7 t0 71.28 110.68 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.629 0.728 . . . . 75.03 110.839 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 54.2 Cg_endo -69.69 -6.84 19.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.637 2.225 . . . . 63.21 112.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.457 ' O ' HG12 ' A' ' 127' ' ' VAL . 0.6 OUTLIER -81.78 -12.32 58.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.877 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.02 142.47 47.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 64.1 111.111 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.14 154.59 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 52.23 110.825 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.64 97.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 70.33 110.872 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 128' ' ' LEU . 19.1 t80 -106.65 141.35 38.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -114.28 158.4 21.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 71.24 110.833 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.26 -172.01 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 71.34 110.858 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -42.3 -56.18 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.941 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.05 -43.78 30.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.876 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.89 20.45 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.816 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.86 -28.24 5.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 63.11 110.871 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.82 71.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 71.14 111.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -77.07 154.96 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.879 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -144.77 159.55 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.933 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 92.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 74.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.636 ' O ' HD22 ' A' ' 128' ' ' LEU . 8.1 ttm180 -100.35 133.79 44.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.02 110.945 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 111' ' ' CYS . 9.2 m -78.09 75.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 74.15 111.125 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER -60.57 -17.53 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.903 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -69.58 -29.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.831 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 mt 51.75 50.7 18.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 62.14 110.939 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -131.03 -40.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.33 110.907 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.887 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.859 0.362 . . . . 73.14 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 99' ' ' SER . 4.0 t -59.06 128.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.31 111.169 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.27 -68.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.15 111.118 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 97' ' ' ARG . 5.8 m -161.64 144.41 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.148 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.61 40.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 73.04 110.833 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.527 ' HB3' HG13 ' A' ' 94' ' ' VAL . 13.7 t-20 -106.91 -67.77 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.706 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -159.98 146.66 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 50.21 110.861 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.623 ' O ' ' C ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -96.43 -86.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.528 . . . . 72.41 110.88 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.623 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 16.86 68.43 0.2 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 72.34 110.888 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 76.86 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 73.53 112.342 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.29 37.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 70.31 111.136 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.84 -41.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.43 111.056 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.56 68.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 53.31 111.095 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.82 47.07 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 75.13 111.067 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -177.52 33.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.4 p -57.92 105.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 51.13 110.91 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.633 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -178.19 82.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 73.23 110.842 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.35 18.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 74.14 112.375 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -110.92 3.68 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 70.24 110.857 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.681 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -113.78 -170.34 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 62.22 111.03 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.8 t -149.44 144.97 26.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 72.55 110.898 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.51 93.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -84.22 135.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.24 110.902 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.6 m -127.04 159.38 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 54.51 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -127.56 -169.44 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.882 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 24.3 m-85 -36.89 -58.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 74.54 110.862 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -48.67 -50.52 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.88 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 63.19 20.38 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 53.15 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.33 -31.94 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.24 110.863 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' HH12 ' A' ' 117' ' ' ARG . . . -110.93 50.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.132 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.3 m -58.69 173.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -153.01 159.09 42.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.939 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.85 96.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.52 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -104.49 132.42 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 112' ' ' ALA . 8.3 m -85.66 96.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.195 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 128' ' ' LEU . 3.3 mm? -93.41 24.41 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 53.32 110.951 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.457 ' C ' HD12 ' A' ' 130' ' ' LEU . 71.0 m -98.8 -36.23 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 63.44 110.858 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 129' ' ' SER . 1.0 OUTLIER 58.62 22.21 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 70.33 110.967 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.28 -33.22 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.914 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.92 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.899 0.38 . . . . 73.34 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.706 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.3 t -79.96 120.67 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 72.43 111.151 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.19 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.02 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.7 m -163.15 148.04 11.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.144 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.499 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.74 43.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.11 110.863 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.487 ' CB ' HG13 ' A' ' 94' ' ' VAL . 13.1 t-20 -105.27 -68.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.876 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 145.86 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 42.41 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -168.79 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.889 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt 69.66 75.41 0.26 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.566 0.698 . . . . 55.25 110.882 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 67.55 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.659 2.239 . . . . 73.44 112.303 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.34 -39.78 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 52.21 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.99 4.08 31.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 55.14 111.096 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.99 49.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.11 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.706 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -139.78 65.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.45 111.102 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.26 83.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 62.24 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.4 p -108.07 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.883 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 71.46 106.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 60.1 110.897 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.51 18.78 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.659 2.24 . . . . 52.15 112.286 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.53 -10.58 58.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.927 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -106.48 164.97 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 42.13 111.124 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -143.75 151.63 40.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 61.42 110.848 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.4 t -70.57 102.84 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 65.14 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 27.2 t80 -109.0 146.18 34.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 54.12 110.938 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.7 m -122.6 157.68 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 43.32 110.916 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -121.99 -169.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.877 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' ARG . 3.6 m-85 -36.09 -61.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.902 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.1 -51.01 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.855 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 63.58 15.94 9.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.851 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.09 -26.52 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.824 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.95 51.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 62.25 111.172 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 36.9 m -56.97 161.88 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 62.13 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -148.87 159.91 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.92 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.18 88.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.13 110.881 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.6 ttt-85 -99.63 133.43 43.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.864 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 112' ' ' ALA . 11.7 m -82.46 106.32 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 60.43 111.093 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.92 27.91 4.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 65.0 m -99.3 -51.43 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 70.22 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.0 mt 61.54 27.03 16.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -150.58 35.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 71.34 110.84 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.839 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.865 0.364 . . . . 71.43 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 98' ' ' ASN . 0.6 OUTLIER -84.34 139.14 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 71.53 111.058 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 94' ' ' VAL . . . -86.38 -165.73 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 32.45 111.127 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.594 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.3 m -63.95 135.39 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.32 111.172 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.594 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 40.7 38.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 63.41 110.925 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.606 ' HB3' HG22 ' A' ' 94' ' ' VAL . 26.7 t-20 -88.2 -66.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.501 ' HB3' HG21 ' A' ' 94' ' ' VAL . 8.4 t -162.03 144.42 11.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 -168.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 63.32 110.86 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.15 71.81 0.46 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 71.42 110.875 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.34 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 74.41 112.35 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.53 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 43.23 111.083 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -111.37 -33.35 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.1 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -179.56 61.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 70.02 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.49 67.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 61.35 111.095 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.5 OUTLIER 178.9 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.929 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 m -57.09 -175.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 51.55 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 67.56 98.24 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 72.22 110.85 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.87 19.64 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 75.31 112.34 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -6.39 55.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.885 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.12 161.46 15.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.05 111.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 t -140.51 156.11 46.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 65.41 110.846 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.04 102.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 51.31 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.402 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 48.8 t80 -109.7 147.85 32.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.892 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.4 m -125.52 157.58 36.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 73.34 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.619 ' HE ' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -117.95 -171.13 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.886 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -42.14 -57.59 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.53 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.2 -42.4 29.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 60.54 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.38 16.36 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.2 -29.15 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.917 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.619 ' HB3' ' HE ' ' A' ' 117' ' ' ARG . . . -103.81 57.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 61.43 111.061 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.3 m -78.63 161.81 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.831 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.61 174.38 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.893 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.1 86.87 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 63.24 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 1.5 tpt180 -96.84 134.1 40.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 62.1 110.813 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' VAL . 10.7 m -79.07 103.74 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 53.03 111.073 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.56 24.56 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 63.2 110.923 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.3 m -99.6 -29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.87 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mt 58.29 25.4 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -141.27 24.02 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.813 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.35 110.884 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.86 0.362 . . . . 54.54 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.2 t -75.37 117.45 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.122 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.27 -70.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.22 111.06 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.418 HG22 ' HD2' ' A' ' 97' ' ' ARG . 3.5 m -162.71 148.74 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 60.21 111.071 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.76 42.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 63.04 110.876 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.506 ' HB3' HG13 ' A' ' 94' ' ' VAL . 17.3 t-20 -105.12 -68.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.858 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -152.35 144.95 24.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.878 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.9 -168.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.873 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.47 78.96 0.28 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.694 . . . . 65.15 110.923 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 69.24 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 73.53 112.415 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.28 -43.25 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.122 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -88.31 5.07 43.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.11 54.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.04 111.122 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -140.74 87.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.14 111.147 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 54.13 110.824 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.5 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.848 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 67.27 84.91 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 60.02 110.849 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.767 2.311 . . . . 74.23 112.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -10.41 58.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.54 110.895 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.575 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -98.43 -170.9 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 72.14 111.142 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 t -154.24 156.35 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 61.04 110.868 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.1 t -71.47 104.36 3.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 70.1 110.85 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -107.72 146.45 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 53.6 m -123.28 157.24 33.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 72.54 110.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -171.82 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.886 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -41.14 -56.27 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.895 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.41 -46.21 37.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.03 110.84 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.87 16.14 9.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 63.35 110.848 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -11.94 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.827 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 57.77 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.138 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -70.4 161.41 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.906 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.4 161.05 42.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.888 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.98 90.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 73.33 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -103.9 133.95 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.32 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.575 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 6.8 m -74.68 95.96 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 61.5 111.173 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.24 24.12 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.2 t -102.97 -51.0 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 63.22 110.885 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.8 mt 62.11 26.66 16.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 43.21 110.85 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -141.13 24.32 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.808 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.874 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.909 0.385 . . . . 44.23 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.3 t -77.63 119.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 70.15 111.077 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.25 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 62.15 111.009 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.419 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.4 m -162.41 147.41 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.02 111.151 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.66 41.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.838 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.52 ' HB3' HG13 ' A' ' 94' ' ' VAL . 15.6 t-20 -106.19 -58.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.54 142.25 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.846 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.3 m -86.76 -88.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 25.54 63.63 0.48 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 73.44 110.857 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 73.3 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.763 2.309 . . . . 65.01 112.34 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.76 -43.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.24 111.137 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -85.65 5.07 33.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.08 56.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 65.51 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -138.5 63.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 53.41 111.134 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.937 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.3 p -60.68 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.82 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.8 m-20 70.25 98.52 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 60.21 110.889 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.7 Cg_endo -69.74 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.64 2.227 . . . . 74.12 112.371 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 -10.82 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.914 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -104.48 172.64 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.41 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -146.95 144.82 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.02 110.908 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.4 t -66.75 100.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 62.22 110.885 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.15 141.87 39.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.53 110.949 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 36.6 m -115.84 159.25 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 65.24 110.946 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.49 -171.68 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.02 110.879 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -41.41 -56.49 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.884 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.39 -46.22 36.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 63.25 16.38 9.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.91 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.47 -18.6 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.897 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.7 62.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 54.4 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.75 157.77 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.901 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -146.96 158.36 43.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 64.42 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.04 91.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 62.35 110.889 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.93 133.48 46.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.903 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 112' ' ' ALA . 8.8 m -83.44 96.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 63.1 111.149 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 128' ' ' LEU . 3.5 mm? -93.32 34.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.915 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.62 -41.73 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.84 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt 60.44 21.85 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.51 110.922 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -121.37 -33.47 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.21 110.815 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 51.15 110.864 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.891 0.377 . . . . 54.33 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.802 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.2 t -79.13 125.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.129 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.05 -69.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.138 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.435 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.8 m -163.37 145.6 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.35 111.171 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.37 39.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 62.21 110.871 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.497 ' HB3' HG13 ' A' ' 94' ' ' VAL . 18.3 t-20 -104.36 -66.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 63.43 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -156.16 144.96 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 51.11 110.859 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.66 ' O ' ' C ' ' A' ' 101' ' ' LYS . 45.2 t -97.98 -89.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.66 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 10.52 76.98 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 64.34 110.824 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 66.98 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.781 2.321 . . . . 73.31 112.327 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -118.66 -49.83 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.091 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.598 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -84.07 3.67 33.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 55.33 111.125 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 78.51 54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.12 111.072 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.802 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -131.53 65.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.12 111.126 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.84 34.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.23 110.886 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 23.3 p -61.62 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 63.55 110.842 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.4 t70 69.89 100.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.541 0.686 . . . . 73.31 110.921 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.2 Cg_endo -69.69 -6.38 18.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.733 2.288 . . . . 64.34 112.333 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.12 -10.93 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 74.32 110.898 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -113.68 157.85 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 72.43 111.092 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.3 t -131.64 148.48 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 30.5 t -67.6 97.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.858 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 19.2 t80 -100.36 144.23 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 64.01 110.937 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.4 m -119.19 157.14 28.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 64.44 110.949 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 -171.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.938 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.29 -56.68 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.45 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.2 -46.08 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.907 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 63.5 18.27 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -24.37 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 52.13 110.788 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.6 67.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.043 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 21.2 m -76.26 157.81 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.3 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -146.49 157.98 43.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 64.34 111.038 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -72.65 92.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.11 110.821 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.1 ttm-85 -105.27 133.05 50.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.818 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 16.1 m -80.22 117.06 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 73.01 111.083 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.43 24.51 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.905 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -99.37 -33.93 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.6 mt 58.84 24.92 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 70.44 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -122.35 -34.64 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 52.31 110.888 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.856 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.893 0.378 . . . . 64.12 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.719 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -80.45 127.94 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.11 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -67.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.09 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.415 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.1 m -162.91 148.8 12.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 43.43 111.124 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.87 40.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.885 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.535 ' CB ' HG13 ' A' ' 94' ' ' VAL . 7.8 t-20 -106.09 -55.31 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.93 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -170.44 147.04 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.11 110.792 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 -160.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.34 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.7 80.14 0.24 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.583 0.706 . . . . 73.3 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 72.43 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.281 . . . . 63.15 112.362 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.47 -41.12 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.22 111.042 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.6 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -93.93 3.45 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.19 55.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.53 111.069 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.719 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -143.96 86.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.03 111.1 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.85 34.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 62.22 110.835 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 p -76.55 116.66 17.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 63.14 110.844 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.529 ' CG ' ' HB2' ' A' ' 112' ' ' ALA . 66.3 t0 -173.7 117.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 52.44 110.842 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 135.2 29.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.278 . . . . 74.54 112.306 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.3 t 67.33 14.73 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 73.12 110.799 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 109' ' ' ASP . . . -89.15 163.85 15.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 52.44 111.059 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.694 ' OG ' HD12 ' A' ' 128' ' ' LEU . 8.9 p -152.14 147.88 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 55.12 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.89 105.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.882 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.725 ' HB2' HD11 ' A' ' 128' ' ' LEU . 25.8 t80 -110.78 145.85 37.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 72.43 110.893 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.3 m -122.56 157.4 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 61.1 110.805 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -171.5 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 63.21 110.905 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -41.22 -56.06 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.888 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.36 -46.13 36.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 74.42 110.83 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 63.91 15.9 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 65.02 110.883 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.43 -11.7 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 64.32 110.909 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.87 65.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 52.04 111.067 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 16.5 m -73.24 156.07 38.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.907 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.91 162.25 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 94.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 60.43 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.49 133.24 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.908 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 112' ' ' ALA . 6.0 m -75.42 97.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.44 111.069 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 115' ' ' TYR . 2.7 mt -92.92 39.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.919 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.7 m -108.1 -41.22 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.837 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mt 62.79 16.72 9.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.967 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.85 -31.48 4.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 71.21 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 63.43 110.917 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.355 . . . . 73.55 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 98' ' ' ASN . 4.1 t -70.03 118.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.16 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.74 -71.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.153 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.436 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.6 m -162.37 147.81 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.24 111.201 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.55 41.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.803 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.487 ' HB3' HG13 ' A' ' 94' ' ' VAL . 9.7 t-20 -109.38 -65.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 65.45 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -156.7 147.11 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 54.25 110.868 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.665 ' O ' ' C ' ' A' ' 101' ' ' LYS . 41.7 t -97.16 -87.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 65.4 110.893 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER 8.91 78.13 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 72.53 110.889 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 74.25 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 45.33 112.41 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.28 -76.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.126 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.08 -33.85 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 65.13 111.051 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.69 68.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 61.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.19 47.63 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 43.34 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -173.43 31.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 63.34 110.918 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 p -59.51 110.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 63.13 110.854 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -179.3 86.05 0.21 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.599 0.714 . . . . 73.01 110.889 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 43.5 112.397 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.59 0.08 18.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 54.33 110.923 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -123.53 -173.7 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 63.24 111.126 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB3' HD12 ' A' ' 128' ' ' LEU . 1.8 t -152.36 157.92 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.866 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 45.5 t -69.2 98.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.933 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.402 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 21.0 t80 -100.17 144.93 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.43 110.919 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.6 m -121.03 157.6 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 63.24 110.865 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 -171.74 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.822 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -41.35 -56.54 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 73.32 110.853 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.85 -45.86 41.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 74.35 110.893 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 63.48 18.43 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 72.1 110.928 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.2 -24.5 6.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 53.52 110.907 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.53 64.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 63.55 111.086 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.0 m -70.88 157.8 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.43 159.3 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.993 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.27 95.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.883 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 7.0 ttm180 -107.07 134.34 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.32 110.83 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' A' ' 112' ' ' ALA . 10.4 m -77.27 104.1 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.5 mt -97.31 28.87 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t -106.96 -42.98 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.894 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.4 mt 58.72 21.99 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.13 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -121.79 -33.61 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.878 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.933 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.869 0.366 . . . . 72.23 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.556 HG13 ' HB3' ' A' ' 98' ' ' ASN . 3.7 t -71.06 120.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.01 111.105 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.95 -67.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 44.12 111.14 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.408 HG22 ' HD2' ' A' ' 97' ' ' ARG . 5.3 m -162.17 148.64 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.161 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.36 41.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 70.33 110.884 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.556 ' HB3' HG13 ' A' ' 94' ' ' VAL . 8.4 t-20 -103.61 -67.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 t -155.09 144.08 20.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 73.13 110.861 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -168.49 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 75.33 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 75.9 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 73.21 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 82.06 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.621 2.214 . . . . 70.41 112.345 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -55.38 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 72.22 111.103 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.82 -49.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 71.11 111.155 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.77 62.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 75.41 111.046 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.21 60.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.42 111.127 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.1 34.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.6 m -52.43 100.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.871 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 3.6 t0 -179.61 82.44 0.2 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 62.42 110.877 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 71.54 112.336 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.25 3.61 18.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 71.43 110.881 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.658 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -122.94 -176.52 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.33 111.106 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.502 ' HB3' HD12 ' A' ' 128' ' ' LEU . 1.6 t -153.44 162.92 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 70.01 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 31.5 t -67.49 107.22 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 64.05 110.86 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -111.4 146.63 36.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.943 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.04 158.59 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 61.22 110.924 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -171.79 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 61.35 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.14 -57.76 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 70.32 110.862 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.77 -43.3 27.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.55 110.883 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 62.43 21.8 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.878 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -33.23 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.857 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.33 60.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.089 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.0 m -74.45 159.4 32.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.05 110.885 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.95 163.49 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.23 110.932 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.82 96.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.901 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.94 135.51 47.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.847 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.658 HG12 ' HB2' ' A' ' 112' ' ' ALA . 8.0 m -73.39 100.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.3 111.1 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.6 mt -94.75 24.86 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 73.15 110.937 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -103.44 -45.74 4.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 62.03 110.845 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 mt 61.57 23.51 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 62.13 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -121.72 -34.35 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.935 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 72.22 110.942 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' A' ' 98' ' ' ASN . 12.3 t -63.59 130.32 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 62.04 111.154 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.9 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.457 HG22 ' HD2' ' A' ' 97' ' ' ARG . 3.5 m -163.43 148.24 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 71.54 111.129 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.28 40.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 62.04 110.835 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.638 ' CB ' HG13 ' A' ' 94' ' ' VAL . 6.3 t-20 -102.32 -64.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 71.03 110.921 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.8 t -160.45 146.01 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 70.43 110.845 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.91 -169.87 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 61.22 110.881 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.13 71.0 0.85 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 72.15 110.861 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 77.63 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 74.23 112.354 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.16 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 55.43 111.072 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.35 -32.33 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.41 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -169.94 89.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 70.5 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -161.29 43.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.22 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 24.2 t -176.12 55.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 62.44 110.807 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.13 67.76 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -159.41 84.43 2.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.69 0.757 . . . . 62.13 110.912 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.4 18.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 60.32 112.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.83 -2.02 36.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.91 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -108.71 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.55 111.125 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 t -151.32 151.07 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.888 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.15 104.26 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.925 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 10.7 t80 -111.0 143.28 41.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.91 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.5 m -118.59 159.87 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 71.15 110.882 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.97 -171.88 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -41.43 -57.56 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.836 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.56 -45.61 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 63.56 16.01 9.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 73.53 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -15.49 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.838 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.89 60.4 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 52.23 111.065 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -69.95 158.74 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.17 159.54 44.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 61.31 110.933 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.62 91.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 71.1 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 12.0 ttp85 -103.57 134.14 47.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 75.35 110.919 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.4 m -75.47 96.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 72.33 111.122 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.89 26.3 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.903 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.2 t -100.21 -34.11 10.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.5 mt 58.19 22.36 9.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 72.11 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -121.35 -33.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 41.54 110.824 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 72.0 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.824 HG23 ' HB1' ' A' ' 106' ' ' ALA . 3.3 t -80.84 130.44 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.54 111.099 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.37 -66.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.093 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.443 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.2 m -162.8 146.82 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 73.14 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.443 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.47 39.81 0.52 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 74.12 110.876 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.606 ' CB ' HG13 ' A' ' 94' ' ' VAL . 6.3 t-20 -106.42 -46.22 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.867 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.57 146.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.818 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.92 -159.85 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 63.43 110.912 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.23 78.84 0.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.515 0.674 . . . . 74.45 110.959 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 68.76 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 73.02 112.325 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.96 -51.57 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 71.3 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.626 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -84.51 3.24 37.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.54 111.098 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.14 62.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 71.53 111.08 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.824 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -149.33 85.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.094 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.76 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.876 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 25.2 m -54.2 100.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 63.54 110.858 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.5 OUTLIER 179.5 77.81 0.17 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 71.43 110.897 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -6.87 19.6 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.73 2.287 . . . . 74.35 112.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 5.87 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 75.32 110.881 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.708 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -111.97 -169.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 74.12 111.091 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.486 ' HB3' HD12 ' A' ' 128' ' ' LEU . 0.3 OUTLIER -152.49 157.92 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 54.14 110.899 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.6 t -68.7 105.9 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 42.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.509 ' HD2' HD21 ' A' ' 128' ' ' LEU . 25.1 t80 -99.72 138.7 36.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.982 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 70.5 m -126.0 157.5 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 65.31 110.824 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -171.38 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 74.1 110.878 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -41.66 -57.7 2.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.866 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.35 -43.9 33.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.908 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 64.94 21.08 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.62 -31.23 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.876 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -107.71 65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.22 111.06 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 37.5 m -78.08 158.7 29.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 30.34 110.896 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 161.99 39.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.836 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.49 95.06 2.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 60.21 110.859 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 26.5 ttt-85 -104.04 133.05 49.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 62.42 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.708 HG12 ' HB2' ' A' ' 112' ' ' ALA . 9.1 m -80.87 99.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 55.3 111.167 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.509 HD21 ' HD2' ' A' ' 115' ' ' TYR . 1.7 mt -93.86 26.62 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.939 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -104.22 -46.52 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.32 110.87 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.9 mt 60.93 18.84 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.896 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -121.13 -32.52 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 74.13 110.847 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.13 110.895 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.887 0.375 . . . . 70.43 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.703 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.8 t -84.69 129.56 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.57 -66.23 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 71.33 111.109 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 97' ' ' ARG . 6.8 m -162.89 147.42 11.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 71.43 111.132 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.39 41.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.875 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.564 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.4 t-20 -102.8 -69.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 60.31 110.863 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -155.9 146.71 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 70.14 110.888 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.61 -167.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.32 79.59 0.21 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 63.31 110.859 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 68.89 1.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.74 2.294 . . . . 41.44 112.316 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.31 -49.09 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 72.44 111.04 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.68 3.26 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 45.53 111.115 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.55 51.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.53 111.027 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.703 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -128.58 67.19 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 63.02 111.119 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.19 76.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 63.25 110.942 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.82 56.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -124.85 85.45 57.31 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 73.11 110.926 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -7.01 19.97 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.671 2.248 . . . . 70.34 112.333 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 0.55 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -114.44 -170.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.095 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 t -152.9 151.41 30.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.879 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.0 t -68.17 105.29 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 53.45 110.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 39.2 t80 -109.34 148.02 31.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.933 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 39.7 m -126.08 156.93 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 63.2 110.895 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.556 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -116.08 -170.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.885 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -39.48 -56.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 63.21 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.15 -48.28 53.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.885 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.42 16.18 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 73.23 110.861 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.56 -16.14 9.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 33.44 110.837 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.556 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -123.22 48.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 52.5 111.121 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.51 161.24 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.01 110.856 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -152.2 164.1 38.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.38 94.81 2.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.5 ttt-85 -110.45 133.64 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.4 m -75.48 96.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 75.22 111.106 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.91 24.67 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.955 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 t -100.47 -45.74 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 73.1 110.857 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 mt 62.49 22.14 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.959 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -120.52 -34.0 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 61.13 110.92 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.889 0.376 . . . . 75.42 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 98' ' ' ASN . 6.6 t -68.87 127.59 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 63.54 111.08 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -68.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 62.33 111.12 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.678 HG23 ' OD2' ' A' ' 109' ' ' ASP . 5.0 m -162.18 144.04 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 52.41 111.163 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.609 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.02 41.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.891 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.61 ' HB3' HG13 ' A' ' 94' ' ' VAL . 11.1 t-20 -100.81 -67.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.934 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.2 t -157.96 147.2 19.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.44 110.956 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -169.6 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 61.93 74.91 0.46 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.516 0.675 . . . . 60.13 110.819 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 80.61 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.637 2.225 . . . . 54.14 112.339 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.18 -44.58 52.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.25 -40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.21 111.133 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -173.04 69.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 42.35 111.163 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.33 49.55 2.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 74.21 111.154 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 179.79 51.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.885 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 26.0 p -89.57 15.0 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.862 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.686 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 28.1 t0 -59.04 112.74 5.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 71.51 110.851 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.16 27.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.694 2.263 . . . . 63.32 112.368 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.5 t 67.19 12.02 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 54.43 110.898 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.686 ' HB3' ' HB3' ' A' ' 109' ' ' ASP . . . -110.2 151.92 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 50.45 111.1 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -129.7 159.42 36.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 61.32 110.837 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.7 t -66.92 99.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 65.43 110.849 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.569 ' HB2' HD11 ' A' ' 128' ' ' LEU . 19.2 t80 -107.43 144.66 34.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 65.21 110.879 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.9 m -120.99 158.5 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.13 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -172.02 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -42.2 -57.1 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.5 -44.21 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.846 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 63.81 16.09 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.832 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.01 -15.99 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.813 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.83 66.08 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.32 111.103 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.0 m -77.83 164.96 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 54.23 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 165.43 32.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.876 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.9 94.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 54.02 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.44 133.69 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' A' ' 112' ' ' ALA . 9.0 m -80.53 100.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 75.15 111.12 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -93.37 22.44 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.962 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -94.13 -29.47 15.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 52.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.8 mt 56.84 24.39 9.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 75.22 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -122.8 -34.56 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.52 110.881 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.15 110.964 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.93 0.395 . . . . 74.23 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.716 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.7 t -77.77 131.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 75.12 111.09 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 -67.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.138 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.449 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.1 m -163.31 146.43 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.32 111.155 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.3 40.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.88 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.59 ' CB ' HG13 ' A' ' 94' ' ' VAL . 5.0 t-20 -100.17 -66.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 50.53 110.868 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -157.28 148.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 52.44 110.852 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.81 -167.98 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 51.23 110.906 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp 70.41 75.82 0.24 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 65.12 110.909 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 67.31 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.656 2.237 . . . . 61.4 112.391 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -117.23 -45.9 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.136 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.41 3.27 32.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 55.1 111.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.17 54.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.127 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.716 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -134.91 65.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 63.31 111.081 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.22 82.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 62.44 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.9 p -109.09 92.27 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 52.15 110.844 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -166.86 92.59 0.74 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.576 0.703 . . . . 50.12 110.859 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.54 18.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.726 2.284 . . . . 74.12 112.285 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -2.14 27.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.04 110.858 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -112.51 -177.72 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.5 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.629 ' HB3' HD12 ' A' ' 128' ' ' LEU . 17.6 t -151.81 153.22 33.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.899 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.3 t -69.73 105.09 2.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.866 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 44.1 t80 -108.81 147.79 31.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.5 m -125.04 156.27 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 72.1 110.879 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -116.77 -170.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.873 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -38.93 -56.54 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.895 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -50.69 -49.11 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 64.07 15.88 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.81 -12.69 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.864 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.548 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -125.23 44.79 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 60.24 111.081 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 38.1 m -54.84 160.04 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 72.22 110.93 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -152.06 163.98 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.925 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.7 93.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.849 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -106.8 133.46 51.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 55.42 110.893 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 112' ' ' ALA . 10.6 m -79.61 102.07 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.44 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.8 mt -95.53 26.48 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.3 m -101.27 -42.38 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.884 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.0 mt 60.48 21.28 10.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 62.55 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -120.71 -33.36 3.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 69.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 62.4 110.866 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.925 0.393 . . . . 64.22 110.835 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.694 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -83.67 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 71.41 111.074 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.15 -66.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 64.53 111.068 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.433 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.3 m -163.07 147.21 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 52.42 111.148 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.15 40.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 72.12 110.859 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.511 ' CB ' HG13 ' A' ' 94' ' ' VAL . 9.1 t-20 -103.23 -65.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.855 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.9 m -162.63 145.93 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.15 110.832 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.98 -159.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 55.52 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.98 79.67 0.27 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 75.43 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 69.37 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 72.21 112.385 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.12 -45.09 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 52.52 111.089 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -91.4 3.63 54.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.109 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.45 58.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.098 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.694 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -135.41 66.78 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 42.52 111.076 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 175.72 81.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 61.01 110.884 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 10.5 p -107.46 65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 73.51 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.451 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 4.5 t0 -137.25 88.02 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 73.24 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -6.34 18.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.617 2.212 . . . . 74.04 112.396 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.81 -0.08 23.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.13 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -106.05 -169.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 50.32 111.146 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.438 ' HB3' HD12 ' A' ' 128' ' ' LEU . 2.3 t -157.62 147.01 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 73.01 110.841 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.36 106.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.872 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.439 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 35.4 t80 -110.67 147.24 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.89 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.08 155.58 38.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 71.15 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -170.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 63.22 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -40.52 -55.83 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 65.12 110.905 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.36 -47.25 37.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 75.34 110.81 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 64.22 15.35 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.73 -5.97 8.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 75.55 110.92 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.64 58.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 61.34 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 m -66.32 158.73 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.841 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.07 163.5 36.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.98 95.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.439 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -111.3 133.96 53.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.4 110.872 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 14.9 m -84.66 111.7 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.104 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 113' ' ' SER . 2.0 mt -103.1 25.05 9.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 61.05 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -102.33 -38.7 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.53 110.861 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt 59.73 25.58 14.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 74.53 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -121.58 -34.95 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.53 110.865 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 62.43 110.928 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.864 0.364 . . . . 70.34 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.705 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -79.67 130.61 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.2 111.111 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.44 -66.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 63.52 111.066 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.448 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.0 m -162.82 147.5 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.136 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.448 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.99 40.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.849 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.513 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.8 t-20 -104.75 -58.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 52.13 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -167.85 146.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.8 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -162.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 71.23 110.864 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.18 77.27 0.27 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.694 . . . . 73.01 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 68.04 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 55.14 112.396 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.04 -31.75 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.43 111.175 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -105.04 4.27 31.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 41.12 111.024 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 81.13 51.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 62.01 111.085 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -135.46 86.95 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.15 111.099 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.83 34.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 62.42 110.879 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.94 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 64.31 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 3.5 t0 -179.77 78.73 0.19 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 52.21 110.849 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.42 18.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 70.4 112.345 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.28 1.18 21.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.602 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -114.71 -175.23 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 74.31 111.054 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.787 ' HB3' HD12 ' A' ' 128' ' ' LEU . 36.5 t -149.22 163.0 38.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 62.14 110.868 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.23 105.8 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 54.11 110.934 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.573 ' CD1' HD21 ' A' ' 128' ' ' LEU . 46.1 t80 -109.63 147.15 33.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.928 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -125.18 159.8 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.513 . . . . 51.34 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -124.59 -168.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.937 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 28.2 m-85 -36.31 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -48.59 -50.67 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.32 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 17.44 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.853 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.37 -24.86 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB3' HH12 ' A' ' 117' ' ' ARG . . . -120.17 55.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 50.43 111.092 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 41.0 m -58.45 162.95 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 61.51 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -149.24 161.55 41.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.917 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.25 94.95 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 72.02 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.426 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 3.1 ttp180 -111.22 134.27 52.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 50.23 110.891 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.602 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 7.8 m -73.42 100.33 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.32 111.145 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' A' ' 113' ' ' SER . 1.5 mt -94.78 24.12 4.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.95 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.6 m -103.91 -45.6 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.55 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.27 20.58 11.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.49 . . . . 71.24 110.893 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -121.09 -33.44 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.852 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 71.02 110.955 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 72.32 110.813 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.722 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.5 t -89.33 126.28 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.125 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.55 -69.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.124 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.441 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.6 m -162.7 147.21 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 71.32 111.16 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.48 39.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.88 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.574 ' CB ' HG13 ' A' ' 94' ' ' VAL . 8.9 t-20 -98.96 -66.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.897 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -155.84 145.17 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.854 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -167.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 54.13 110.869 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp 69.18 77.05 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 72.34 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 70.57 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.246 . . . . 65.2 112.367 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.84 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.34 111.108 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.611 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -82.59 1.41 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 41.12 111.182 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 78.79 47.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.51 111.099 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.21 82.98 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.065 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.44 32.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 52.3 110.873 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.3 p -58.25 98.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 61.1 110.879 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -171.85 84.66 0.46 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.591 0.71 . . . . 73.23 110.932 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -6.36 18.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 73.22 112.344 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.85 -0.93 24.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.69 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -123.38 -175.5 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 72.2 111.05 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 t -154.66 166.2 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.1 110.888 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -70.38 106.85 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 61.4 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -111.3 147.5 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.99 157.51 35.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 54.35 110.861 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.563 ' NH1' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -118.67 -170.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.45 110.884 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -41.2 -56.75 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.24 -44.38 43.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.13 110.872 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 62.54 21.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 63.22 110.84 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 -33.96 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 74.14 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.563 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . . . -102.91 49.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 43.12 111.12 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 34.2 m -64.37 159.07 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 54.22 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.18 165.53 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.979 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.54 96.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.72 135.32 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 65.24 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.69 HG12 ' HB2' ' A' ' 112' ' ' ALA . 6.8 m -74.54 94.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.41 111.151 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.43 24.53 3.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.991 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -97.61 -44.71 6.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 51.24 110.87 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt 63.06 23.76 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.05 110.862 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -122.4 -34.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 64.53 110.888 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 81.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.862 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.869 0.366 . . . . 72.11 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 98' ' ' ASN . 4.4 t -77.09 132.72 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.12 111.1 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.59 -65.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.33 111.145 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.606 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.9 m -162.62 144.13 10.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.446 . . . . 74.55 111.042 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.606 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.78 42.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.86 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 94' ' ' VAL . 14.0 t-20 -109.73 -49.38 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.829 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -179.29 148.61 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.32 110.819 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.8 m -90.33 -90.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.858 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 34.93 57.91 2.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.559 0.695 . . . . 54.14 110.861 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 72.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.586 2.191 . . . . 71.13 112.391 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.64 -47.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.2 111.093 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -88.11 8.12 28.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.6 57.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 75.51 111.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.94 52.9 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 41.31 111.106 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.34 25.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 65.34 110.825 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.5 p -53.73 103.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.836 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -177.03 83.76 0.25 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 54.43 110.87 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.91 19.73 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.64 2.227 . . . . 61.52 112.331 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -0.41 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 54.22 110.861 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.688 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -119.86 -169.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 41.12 111.126 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.35 153.58 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.898 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.85 97.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 65.42 110.899 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.412 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 9.9 t80 -101.65 141.83 33.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 75.35 110.885 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 56.5 m -115.2 157.64 23.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 74.25 110.834 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -171.92 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 64.52 110.843 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -41.0 -55.82 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.812 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.06 -47.21 34.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 70.2 110.866 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 63.9 16.01 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 64.34 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.95 -14.99 9.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 54.01 110.892 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.12 65.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 65.35 111.125 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.5 156.76 38.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 64.45 110.898 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -143.99 161.31 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.912 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 96.75 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 70.32 110.853 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 5.2 ttm-85 -109.22 134.71 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 63.52 110.927 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.688 HG12 ' HB2' ' A' ' 112' ' ' ALA . 12.4 m -78.95 108.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 73.12 111.087 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mt -100.95 26.77 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.934 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.4 m -104.99 -43.01 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.1 110.893 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 mt 60.26 21.75 11.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -121.03 -33.67 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 53.55 110.908 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 55.13 110.9 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.766 0.317 . . . . 72.34 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.678 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.5 t -85.11 127.83 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 54.25 111.046 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.72 -66.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 52.44 111.093 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.2 m -163.24 147.29 10.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.457 . . . . 63.34 111.167 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.3 40.05 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.871 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.479 ' HB3' HG13 ' A' ' 94' ' ' VAL . 9.8 t-20 -104.17 -64.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.932 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -162.92 146.23 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 54.43 110.857 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 -160.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.31 110.922 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.61 79.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 55.31 110.9 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 69.99 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.246 . . . . 73.52 112.373 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.95 -44.35 2.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.139 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -90.78 3.4 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 55.22 111.096 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.82 57.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 44.34 111.165 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.678 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -136.98 66.26 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 51.22 111.068 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.26 68.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 60.42 110.913 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 24.1 p -92.86 41.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.841 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -110.19 82.95 2.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 75.15 110.84 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 -7.14 20.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.668 2.246 . . . . 74.12 112.387 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -0.67 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.431 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -110.61 -170.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 53.15 111.114 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -151.2 152.41 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 74.45 110.845 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.9 t -68.27 105.92 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.883 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 30.6 t80 -111.39 145.95 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.913 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.0 m -122.89 157.37 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.878 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -171.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -40.74 -55.67 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.849 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.27 -47.35 36.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 63.73 15.82 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 53.4 110.869 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -12.49 9.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.887 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.91 64.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 63.54 111.12 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.18 157.77 37.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 72.03 110.828 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.33 162.82 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.928 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.78 94.51 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 75.54 110.834 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 1.2 tpt85 -112.03 132.85 54.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 75.11 110.893 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 127' ' ' VAL . 7.6 m -76.07 96.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 51.24 111.14 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.31 24.64 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.7 m -101.92 -43.89 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 65.42 110.85 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt 62.75 26.41 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 62.42 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -121.81 -35.09 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 54.43 110.917 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.877 0.37 . . . . 61.14 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.561 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.4 t -57.59 129.33 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 63.13 111.13 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.54 -66.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.04 111.092 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 97' ' ' ARG . 4.3 m -163.23 146.24 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.143 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.405 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.98 40.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.877 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.504 ' HB3' HG13 ' A' ' 94' ' ' VAL . 16.8 t-20 -106.16 -67.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.1 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -147.7 140.92 25.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 55.14 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 16.4 t -95.4 -70.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.793 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -40.3 102.76 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 75.23 110.922 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 53.8 Cg_endo -69.8 77.63 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 52.3 112.373 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.71 -28.48 9.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 73.15 111.152 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -177.96 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 55.24 111.042 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -167.81 58.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.41 111.074 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.561 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -133.33 52.74 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 72.33 111.089 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.97 44.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 65.22 110.879 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 80.1 m -79.64 -171.54 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.35 110.879 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 4.7 t0 71.28 110.68 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.629 0.728 . . . . 75.03 110.839 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 54.2 Cg_endo -69.69 -6.84 19.54 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.637 2.225 . . . . 63.21 112.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.457 ' O ' HG12 ' A' ' 127' ' ' VAL . 0.6 OUTLIER -81.78 -12.32 58.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.877 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.02 142.47 47.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 64.1 111.111 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.14 154.59 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 52.23 110.825 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.64 97.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 70.33 110.872 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 128' ' ' LEU . 19.1 t80 -106.65 141.35 38.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.944 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.1 m -114.28 158.4 21.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 71.24 110.833 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.26 -172.01 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 71.34 110.858 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -42.3 -56.18 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.941 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.05 -43.78 30.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.876 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.89 20.45 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.816 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.86 -28.24 5.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 63.11 110.871 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.82 71.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 71.14 111.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -77.07 154.96 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.879 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -144.77 159.55 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.933 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 92.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 74.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.636 ' O ' HD22 ' A' ' 128' ' ' LEU . 8.1 ttm180 -100.35 133.79 44.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.02 110.945 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 111' ' ' CYS . 9.2 m -78.09 75.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 74.15 111.125 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER -60.57 -17.53 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.903 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -69.58 -29.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.831 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 mt 51.75 50.7 18.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 62.14 110.939 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -131.03 -40.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.33 110.907 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.887 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.859 0.362 . . . . 73.14 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 99' ' ' SER . 4.0 t -59.06 128.43 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.31 111.169 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.27 -68.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 74.15 111.118 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 97' ' ' ARG . 5.8 m -161.64 144.41 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.148 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.61 40.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 73.04 110.833 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.527 ' HB3' HG13 ' A' ' 94' ' ' VAL . 13.7 t-20 -106.91 -67.77 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.706 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -159.98 146.66 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 50.21 110.861 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.623 ' O ' ' C ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -96.43 -86.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.528 . . . . 72.41 110.88 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.623 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 16.86 68.43 0.2 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 72.34 110.888 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 76.86 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.265 . . . . 73.53 112.342 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.29 37.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 70.31 111.136 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.84 -41.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.43 111.056 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.56 68.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 53.31 111.095 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.82 47.07 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 75.13 111.067 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -177.52 33.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.872 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.4 p -57.92 105.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 51.13 110.91 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.633 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -178.19 82.13 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 73.23 110.842 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.35 18.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 74.14 112.375 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -110.92 3.68 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 70.24 110.857 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.681 ' HB2' HG12 ' A' ' 127' ' ' VAL . . . -113.78 -170.34 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 62.22 111.03 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.8 t -149.44 144.97 26.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 72.55 110.898 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.51 93.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -84.22 135.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.24 110.902 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.6 m -127.04 159.38 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 54.51 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -127.56 -169.44 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.882 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 117' ' ' ARG . 24.3 m-85 -36.89 -58.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 74.54 110.862 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -48.67 -50.52 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.88 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 63.19 20.38 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 53.15 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.33 -31.94 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.24 110.863 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' HH12 ' A' ' 117' ' ' ARG . . . -110.93 50.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.132 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 48.3 m -58.69 173.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.846 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -153.01 159.09 42.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.939 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -76.85 96.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.52 110.873 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -104.49 132.42 50.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 112' ' ' ALA . 8.3 m -85.66 96.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.195 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 128' ' ' LEU . 3.3 mm? -93.41 24.41 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 53.32 110.951 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.457 ' C ' HD12 ' A' ' 130' ' ' LEU . 71.0 m -98.8 -36.23 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 63.44 110.858 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 129' ' ' SER . 1.0 OUTLIER 58.62 22.21 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 70.33 110.967 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.28 -33.22 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.914 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.92 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.899 0.38 . . . . 73.34 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.706 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.3 t -79.96 120.67 31.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 72.43 111.151 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.19 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.02 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.7 m -163.15 148.04 11.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.144 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.499 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.74 43.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.11 110.863 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.487 ' CB ' HG13 ' A' ' 94' ' ' VAL . 13.1 t-20 -105.27 -68.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.876 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 145.86 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 42.41 110.868 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -168.79 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.889 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt 69.66 75.41 0.26 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.566 0.698 . . . . 55.25 110.882 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 67.55 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.659 2.239 . . . . 73.44 112.303 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.34 -39.78 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 52.21 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -83.99 4.08 31.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 55.14 111.096 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.99 49.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.11 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.706 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -139.78 65.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.45 111.102 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.26 83.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 62.24 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.4 p -108.07 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.883 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 71.46 106.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 60.1 110.897 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.51 18.78 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.659 2.24 . . . . 52.15 112.286 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.53 -10.58 58.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.927 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -106.48 164.97 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 42.13 111.124 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -143.75 151.63 40.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 61.42 110.848 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.4 t -70.57 102.84 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 65.14 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 27.2 t80 -109.0 146.18 34.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 54.12 110.938 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 41.7 m -122.6 157.68 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 43.32 110.916 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER -121.99 -169.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.877 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' ARG . 3.6 m-85 -36.09 -61.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.902 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.1 -51.01 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.855 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 63.58 15.94 9.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.851 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.09 -26.52 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.824 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.95 51.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 62.25 111.172 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 36.9 m -56.97 161.88 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 62.13 110.899 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -148.87 159.91 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.92 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.18 88.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.13 110.881 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.6 ttt-85 -99.63 133.43 43.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.864 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 112' ' ' ALA . 11.7 m -82.46 106.32 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 60.43 111.093 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.92 27.91 4.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 65.0 m -99.3 -51.43 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 70.22 110.876 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.0 mt 61.54 27.03 16.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -150.58 35.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 71.34 110.84 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.839 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.865 0.364 . . . . 71.43 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 98' ' ' ASN . 0.6 OUTLIER -84.34 139.14 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 71.53 111.058 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 94' ' ' VAL . . . -86.38 -165.73 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 32.45 111.127 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.594 HG22 ' HD2' ' A' ' 97' ' ' ARG . 2.3 m -63.95 135.39 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.32 111.172 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.594 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 40.7 38.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 63.41 110.925 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.606 ' HB3' HG22 ' A' ' 94' ' ' VAL . 26.7 t-20 -88.2 -66.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.501 ' HB3' HG21 ' A' ' 94' ' ' VAL . 8.4 t -162.03 144.42 11.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.814 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 -168.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 63.32 110.86 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.15 71.81 0.46 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 71.42 110.875 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.34 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 74.41 112.35 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.53 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 43.23 111.083 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -111.37 -33.35 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.1 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -179.56 61.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 70.02 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.49 67.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 61.35 111.095 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 94' ' ' VAL . 0.5 OUTLIER 178.9 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.929 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 m -57.09 -175.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 51.55 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 67.56 98.24 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 72.22 110.85 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.87 19.64 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 75.31 112.34 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -6.39 55.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.885 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.12 161.46 15.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 72.05 111.128 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 t -140.51 156.11 46.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 65.41 110.846 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.04 102.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 51.31 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.402 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 48.8 t80 -109.7 147.85 32.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.892 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 85.4 m -125.52 157.58 36.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 73.34 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.619 ' HE ' ' HB3' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -117.95 -171.13 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.886 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -42.14 -57.59 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.53 110.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -48.2 -42.4 29.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 60.54 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.38 16.36 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.2 -29.15 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.917 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.619 ' HB3' ' HE ' ' A' ' 117' ' ' ARG . . . -103.81 57.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 61.43 111.061 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.3 m -78.63 161.81 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.831 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.61 174.38 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.893 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.1 86.87 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 63.24 110.933 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 1.5 tpt180 -96.84 134.1 40.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 62.1 110.813 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' VAL . 10.7 m -79.07 103.74 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 53.03 111.073 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.56 24.56 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 63.2 110.923 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.3 m -99.6 -29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.87 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mt 58.29 25.4 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -141.27 24.02 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.813 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.35 110.884 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.86 0.362 . . . . 54.54 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.2 t -75.37 117.45 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.122 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.27 -70.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.22 111.06 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.418 HG22 ' HD2' ' A' ' 97' ' ' ARG . 3.5 m -162.71 148.74 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 60.21 111.071 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 37.76 42.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 63.04 110.876 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.506 ' HB3' HG13 ' A' ' 94' ' ' VAL . 17.3 t-20 -105.12 -68.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.858 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -152.35 144.95 24.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.878 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.9 -168.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.873 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.47 78.96 0.28 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.694 . . . . 65.15 110.923 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 69.24 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 73.53 112.415 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.28 -43.25 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.122 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -88.31 5.07 43.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.093 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.11 54.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.04 111.122 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -140.74 87.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 70.14 111.147 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 54.13 110.824 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.5 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.848 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 67.27 84.91 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 60.02 110.849 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.767 2.311 . . . . 74.23 112.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.36 -10.41 58.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.54 110.895 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.575 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -98.43 -170.9 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 72.14 111.142 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 t -154.24 156.35 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 61.04 110.868 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 27.1 t -71.47 104.36 3.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 70.1 110.85 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -107.72 146.45 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 53.6 m -123.28 157.24 33.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 72.54 110.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -171.82 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.886 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -41.14 -56.27 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.895 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.41 -46.21 37.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.03 110.84 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.87 16.14 9.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 63.35 110.848 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -11.94 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.827 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 57.77 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.138 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -70.4 161.41 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.906 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.4 161.05 42.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.888 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.98 90.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 73.33 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -103.9 133.95 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.32 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.575 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 6.8 m -74.68 95.96 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 61.5 111.173 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.24 24.12 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.2 t -102.97 -51.0 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 63.22 110.885 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.8 mt 62.11 26.66 16.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 43.21 110.85 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -141.13 24.32 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.808 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.874 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.909 0.385 . . . . 44.23 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.3 t -77.63 119.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 70.15 111.077 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.25 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 62.15 111.009 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.419 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.4 m -162.41 147.41 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.02 111.151 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.66 41.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.838 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.52 ' HB3' HG13 ' A' ' 94' ' ' VAL . 15.6 t-20 -106.19 -58.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.54 142.25 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.846 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 101' ' ' LYS . 1.3 m -86.76 -88.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 25.54 63.63 0.48 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 73.44 110.857 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 73.3 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.763 2.309 . . . . 65.01 112.34 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.76 -43.6 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.24 111.137 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -85.65 5.07 33.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 80.08 56.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 65.51 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -138.5 63.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 53.41 111.134 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 34.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.937 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.3 p -60.68 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.82 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.8 m-20 70.25 98.52 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 60.21 110.889 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.7 Cg_endo -69.74 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.64 2.227 . . . . 74.12 112.371 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.55 -10.82 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.914 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HA ' HG12 ' A' ' 127' ' ' VAL . . . -104.48 172.64 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.41 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -146.95 144.82 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.02 110.908 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.4 t -66.75 100.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 62.22 110.885 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.15 141.87 39.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.53 110.949 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 36.6 m -115.84 159.25 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 65.24 110.946 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.49 -171.68 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.02 110.879 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -41.41 -56.49 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.884 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.39 -46.22 36.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 63.25 16.38 9.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.91 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.47 -18.6 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.897 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.7 62.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 54.4 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.75 157.77 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.901 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -146.96 158.36 43.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 64.42 110.919 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.04 91.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 62.35 110.889 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.93 133.48 46.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.903 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 112' ' ' ALA . 8.8 m -83.44 96.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 63.1 111.149 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 128' ' ' LEU . 3.5 mm? -93.32 34.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.915 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.62 -41.73 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.84 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt 60.44 21.85 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.51 110.922 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -121.37 -33.47 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.21 110.815 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 51.15 110.864 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.891 0.377 . . . . 54.33 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.802 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.2 t -79.13 125.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.129 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.05 -69.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.138 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.435 HG22 ' HD3' ' A' ' 97' ' ' ARG . 2.8 m -163.37 145.6 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.35 111.171 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 39.37 39.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 62.21 110.871 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.497 ' HB3' HG13 ' A' ' 94' ' ' VAL . 18.3 t-20 -104.36 -66.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 63.43 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -156.16 144.96 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 51.11 110.859 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.66 ' O ' ' C ' ' A' ' 101' ' ' LYS . 45.2 t -97.98 -89.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.66 ' C ' ' O ' ' A' ' 100' ' ' CYS . 0.0 OUTLIER 10.52 76.98 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 64.34 110.824 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 66.98 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.781 2.321 . . . . 73.31 112.327 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -118.66 -49.83 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.091 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.598 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -84.07 3.67 33.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 55.33 111.125 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 78.51 54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.12 111.072 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.802 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -131.53 65.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.12 111.126 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.84 34.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.23 110.886 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 23.3 p -61.62 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 63.55 110.842 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . 1.4 t70 69.89 100.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.541 0.686 . . . . 73.31 110.921 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 53.2 Cg_endo -69.69 -6.38 18.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.733 2.288 . . . . 64.34 112.333 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.12 -10.93 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 74.32 110.898 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB2' ' CG1' ' A' ' 127' ' ' VAL . . . -113.68 157.85 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 72.43 111.092 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.3 t -131.64 148.48 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 30.5 t -67.6 97.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.858 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 126' ' ' ARG . 19.2 t80 -100.36 144.23 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 64.01 110.937 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 58.4 m -119.19 157.14 28.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 64.44 110.949 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 -171.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.938 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.29 -56.68 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.45 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.2 -46.08 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.907 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 63.5 18.27 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -24.37 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 52.13 110.788 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.6 67.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.043 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 21.2 m -76.26 157.81 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.3 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -146.49 157.98 43.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 64.34 111.038 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -72.65 92.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.11 110.821 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.409 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 19.1 ttm-85 -105.27 133.05 50.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.818 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 112' ' ' ALA . 16.1 m -80.22 117.06 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 73.01 111.083 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.43 24.51 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.45 110.905 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -99.37 -33.93 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.6 mt 58.84 24.92 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 70.44 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -122.35 -34.64 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 52.31 110.888 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.856 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.893 0.378 . . . . 64.12 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.719 HG23 ' HB1' ' A' ' 106' ' ' ALA . 2.6 t -80.45 127.94 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.11 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -67.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.09 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.415 HG22 ' HD3' ' A' ' 97' ' ' ARG . 3.1 m -162.91 148.8 12.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 43.43 111.124 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER 38.87 40.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.885 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.535 ' CB ' HG13 ' A' ' 94' ' ' VAL . 7.8 t-20 -106.09 -55.31 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.93 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -170.44 147.04 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.11 110.792 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 -160.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.34 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.7 80.14 0.24 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.583 0.706 . . . . 73.3 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 72.43 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.281 . . . . 63.15 112.362 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.47 -41.12 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.22 111.042 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.6 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -93.93 3.45 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . 79.19 55.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.53 111.069 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.719 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -143.96 86.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.03 111.1 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.85 34.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 62.22 110.835 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 p -76.55 116.66 17.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 63.14 110.844 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.529 ' CG ' ' HB2' ' A' ' 112' ' ' ALA . 66.3 t0 -173.7 117.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 52.44 110.842 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 135.2 29.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.278 . . . . 74.54 112.306 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.3 t 67.33 14.73 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 73.12 110.799 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 109' ' ' ASP . . . -89.15 163.85 15.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 52.44 111.059 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.694 ' OG ' HD12 ' A' ' 128' ' ' LEU . 8.9 p -152.14 147.88 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 55.12 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.9 t -64.89 105.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.882 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.725 ' HB2' HD11 ' A' ' 128' ' ' LEU . 25.8 t80 -110.78 145.85 37.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 72.43 110.893 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 60.3 m -122.56 157.4 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 61.1 110.805 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -171.5 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 63.21 110.905 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -41.22 -56.06 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.888 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -48.36 -46.13 36.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 74.42 110.83 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 63.91 15.9 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 65.02 110.883 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.43 -11.7 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 64.32 110.909 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.87 65.66 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 52.04 111.067 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 16.5 m -73.24 156.07 38.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.907 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.91 162.25 35.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 94.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 60.43 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.49 133.24 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.908 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 112' ' ' ALA . 6.0 m -75.42 97.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.44 111.069 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 115' ' ' TYR . 2.7 mt -92.92 39.27 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.919 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.7 m -108.1 -41.22 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.837 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mt 62.79 16.72 9.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.967 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.85 -31.48 4.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 71.21 110.871 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 63.43 110.917 179.938 . . . . . . . . 0 0 . 1 stop_ save_