data_2lb7_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 2lb7 _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 ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.755 0.312 . . . . 71.04 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.14 147.38 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 75.32 110.906 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -97.4 144.06 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.843 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.12 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 72.03 110.86 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.52 -149.3 48.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 50.43 112.441 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -58.66 -21.12 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 42.55 110.859 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -80.87 -0.7 40.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.853 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 64.1 111.089 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 58.11 30.1 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.892 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 25.9 56.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.831 -0.7 . . . . 74.13 112.46 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.18 140.24 38.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 71.42 111.043 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.95 158.48 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 55.45 110.884 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.77 158.63 31.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.671 0.748 . . . . 64.42 110.842 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -175.52 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.264 . . . . 75.42 112.355 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -79.55 171.52 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.87 12.51 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.835 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.28 160.25 37.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -121.13 135.58 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.886 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t -102.31 109.08 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 55.23 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 137.92 36.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.447 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -45.47 -30.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 73.32 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -83.22 37.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.98 43.38 17.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 61.05 112.549 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -130.67 105.28 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 75.44 110.938 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.72 123.51 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.882 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.49 7.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 71.33 112.525 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 75.04 110.859 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.86 5.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.525 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -17.47 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 73.04 110.886 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.76 -31.98 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.5 111.092 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.96 -17.67 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.908 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.9 m -89.72 -24.77 21.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 71.24 110.945 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.87 163.67 9.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.78 -0.724 . . . . 53.14 112.474 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 111.94 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 74.21 111.091 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.99 -23.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 33.24 112.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -140.04 11.87 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 74.43 110.838 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.9 135.38 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.26 -51.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.6 157.41 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.824 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 53.01 47.4 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 74.43 110.898 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.29 65.14 6.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 75.5 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -165.58 25.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.855 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.04 179.87 26.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 74.34 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.752 0.31 . . . . 71.14 110.91 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 61.51 111.071 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.94 147.4 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.941 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -97.4 144.02 27.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.02 -173.85 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 71.23 110.912 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.19 -149.5 47.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 64.11 112.509 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -58.76 -21.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 73.31 110.804 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.69 -0.92 40.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 53.23 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 64.45 111.094 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 57.85 29.9 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.84 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.54 55.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 71.44 112.454 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.42 139.35 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 75.02 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -99.0 157.78 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 64.53 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.68 158.57 32.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 65.33 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.53 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.711 2.274 . . . . 75.22 112.333 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -79.73 171.59 14.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.877 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.5 8.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.934 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.32 160.13 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 75.43 110.823 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.5 m -120.91 135.55 55.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.2 110.811 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.6 t -102.22 108.93 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 63.31 110.929 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.98 137.89 36.62 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.758 -0.734 . . . . 71.45 112.437 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -45.71 -30.27 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 74.34 110.82 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -83.3 37.69 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 74.04 110.948 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.21 43.49 18.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 73.34 112.48 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.89 105.33 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 75.21 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.3 m -87.74 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.4 7.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.77 -0.729 . . . . 71.52 112.542 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.937 0.398 . . . . 73.23 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.66 5.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 52.22 112.501 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.31 -17.46 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 72.13 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -32.14 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.43 111.102 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.78 -17.74 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.874 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.72 -24.79 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 51.44 110.881 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 163.73 9.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 64.33 112.499 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.62 111.78 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 75.53 111.089 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.19 -23.79 0.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 63.3 112.454 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -140.09 11.93 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 75.51 110.886 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.95 135.32 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.29 -51.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.14 110.816 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.29 157.6 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.86 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.73 47.46 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 73.45 110.922 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.26 65.23 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -165.48 25.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.86 -179.71 25.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.778 . . . . 63.42 112.562 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 72.42 110.884 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.72 0.295 . . . . 65.33 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.93 147.34 46.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 72.54 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -97.36 144.07 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.865 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.15 -173.93 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.877 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.4 -149.24 48.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 64.14 112.532 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.76 -21.03 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 71.03 110.836 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -80.84 -0.68 39.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.23 110.939 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.06 34.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.11 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.13 30.05 18.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.84 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 25.8 56.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 41.3 112.509 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.54 39.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 73.23 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 158.31 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.69 158.6 31.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 75.33 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -175.4 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 62.24 112.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -79.68 171.49 15.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 70.3 110.925 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.4 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.29 160.12 38.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 70.2 110.915 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -121.06 135.5 55.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.2 109.26 20.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 61.42 110.829 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 137.96 35.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 73.05 112.503 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -45.55 -30.49 1.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.765 0.317 . . . . 74.31 110.882 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.16 37.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.06 43.44 17.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 73.1 112.523 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -130.74 105.25 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 71.34 110.865 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.7 123.49 32.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 75.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.45 7.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 75.11 112.462 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.81 -174.65 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 65.45 110.866 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.36 158.82 5.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 71.43 112.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -17.28 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 74.42 110.85 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.33 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.01 111.105 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -118.71 -17.68 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 75.2 110.936 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.69 -24.84 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.01 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.84 163.8 9.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.758 . . . . 73.45 112.438 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.71 112.06 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 75.34 111.129 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.79 -23.66 0.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.5 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 t -140.1 11.85 2.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 74.14 110.876 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.81 135.26 33.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -129.3 -51.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -124.58 157.69 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.03 110.841 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 52.81 47.26 25.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.5 m -81.21 65.2 6.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.906 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -165.56 25.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 73.55 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.31 179.96 27.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 60.42 112.46 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 73.35 110.835 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.718 0.294 . . . . 54.42 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.01 147.34 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.9 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -97.19 143.95 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.936 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.16 -174.0 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.86 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.85 48.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 54.4 112.5 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -21.03 54.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.742 0.306 . . . . 72.4 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -80.8 -0.84 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.02 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.11 111.118 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.92 29.96 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.13 26.26 55.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 72.41 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.3 137.75 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 73.24 111.066 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 158.04 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 70.53 110.851 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.86 158.66 31.91 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.648 0.737 . . . . 55.4 110.879 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 74.44 112.303 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -79.7 171.24 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.44 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.79 12.72 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.891 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.14 159.86 38.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 74.22 110.913 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.36 135.71 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 65.31 110.937 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.85 110.26 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.26 138.17 34.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 61.42 112.514 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -45.18 -30.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 73.45 110.936 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -83.19 38.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.935 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.85 43.55 16.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 44.53 112.536 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -130.49 105.09 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 64.54 110.854 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.49 123.63 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.3 -158.64 8.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 64.03 112.504 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.51 -174.56 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 64.32 110.815 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.09 158.93 4.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 44.33 112.547 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -63.29 -17.38 62.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 70.42 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.41 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 64.43 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -118.88 -17.76 9.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 73.15 110.967 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.72 -24.83 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 73.5 110.906 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.74 163.27 10.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 72.44 112.543 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.47 110.38 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 71.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.61 -23.48 0.42 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 75.35 112.474 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -139.96 11.75 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 74.41 110.891 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 t -89.8 135.95 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.86 -49.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 73.42 110.896 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.96 158.66 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.848 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 51.82 45.37 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.937 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.68 66.1 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 65.41 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -165.55 25.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.937 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 179.06 33.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.732 -0.747 . . . . 60.43 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.11 110.85 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.761 0.315 . . . . 72.12 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.78 147.36 46.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -97.28 143.98 27.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.16 -174.08 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.847 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.54 -149.84 48.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 74.13 112.497 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.65 -21.15 53.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.747 0.308 . . . . 74.13 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.66 -0.84 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.968 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.95 35.09 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 71.54 111.046 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.97 29.89 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.915 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 26.29 55.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 74.32 112.471 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.05 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 75.22 111.032 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -99.57 157.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.895 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.79 158.5 32.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 74.13 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 -175.43 1.13 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.708 2.272 . . . . 72.24 112.356 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -79.64 171.4 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.931 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.7 12.79 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.23 110.828 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.2 159.85 38.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 60.55 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.22 135.76 55.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 44.41 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.04 109.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.88 138.22 34.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 75.13 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -45.36 -30.83 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 73.3 110.918 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -83.13 37.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.92 43.48 16.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 65.1 112.523 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -130.52 105.26 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 75.2 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.7 m -87.71 123.58 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.857 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.34 7.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 61.5 112.493 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.947 0.404 . . . . 71.53 110.804 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.35 158.84 5.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 74.43 112.479 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -17.34 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 61.25 110.825 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.14 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.114 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -118.82 -17.72 9.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.977 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.74 -24.81 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 75.55 110.912 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.89 163.61 10.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 74.44 112.501 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.89 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 74.12 111.116 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.12 -23.54 0.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.499 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 t -140.07 11.97 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.955 0.407 . . . . 54.23 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.9 135.64 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 74.31 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.15 -49.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.5 157.76 36.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.821 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.28 46.94 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.874 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.9 m -80.89 65.39 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 72.31 110.924 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.42 25.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.41 -179.03 30.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 51.01 112.445 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 51.23 110.907 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.725 0.298 . . . . 55.24 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.04 147.33 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 70.21 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -97.26 143.98 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.16 -174.11 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.84 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.7 -149.75 48.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.485 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.82 -21.03 55.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 72.34 110.824 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -80.77 -0.74 39.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.98 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.134 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 57.98 30.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.858 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 26.06 56.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 44.22 112.526 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 74.12 111.112 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -98.99 158.05 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.845 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.85 158.55 32.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.721 0.772 . . . . 63.44 110.836 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.702 2.268 . . . . 61.43 112.306 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.63 171.27 15.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.78 12.79 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.843 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.15 159.87 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.36 135.67 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.895 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.91 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 138.27 34.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.763 -0.732 . . . . 71.15 112.427 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -45.33 -30.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 73.32 110.868 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -83.09 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.903 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.47 16.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.689 -0.767 . . . . 72.22 112.538 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -130.52 105.23 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 75.23 110.835 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.8 m -87.73 123.58 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.14 -158.38 7.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 61.12 112.493 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.57 3.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 74.34 110.856 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.34 158.86 5.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 74.42 112.494 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.54 -17.23 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 73.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.123 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.916 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.85 -24.81 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.809 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.9 163.51 10.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 71.44 112.432 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 110.79 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 72.33 111.124 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.29 -23.57 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.764 . . . . 71.12 112.493 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -140.08 11.88 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 74.21 110.845 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.88 135.75 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.862 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.24 -49.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.35 157.44 36.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.92 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.54 47.1 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.957 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.27 65.28 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 43.23 110.897 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -165.5 25.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.7 -178.35 29.8 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.784 -0.722 . . . . 74.31 112.468 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 73.44 110.914 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.695 0.283 . . . . 74.32 111.119 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.06 147.38 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.15 110.929 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -97.36 143.98 27.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.05 110.813 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.1 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 65.34 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.58 -150.06 48.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 61.43 112.497 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.71 -21.13 54.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 72.01 110.826 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -80.66 -0.89 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 73.32 111.153 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.81 29.91 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.841 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.4 55.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 71.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 138.44 38.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 64.23 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -98.16 157.61 16.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.82 158.58 32.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.743 . . . . 53.52 110.855 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -175.49 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 74.22 112.326 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -79.59 171.42 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 60.03 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.9 t 65.64 12.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 52.14 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.14 159.78 39.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.956 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -121.24 135.66 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.948 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -101.75 109.9 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 70.05 110.954 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 138.23 34.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 42.24 112.484 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 73.23 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -83.07 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.936 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.81 43.57 16.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 44.25 112.527 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -130.6 105.18 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 74.13 110.866 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.59 123.58 32.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.16 -158.31 7.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 65.25 112.465 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.9 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 73.51 110.869 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.81 5.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 75.54 112.47 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -63.38 -17.32 62.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 62.14 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.16 71.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 62.41 111.069 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.925 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -24.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.66 10.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.666 -0.778 . . . . 62.21 112.439 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 111.09 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 73.24 111.063 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.08 -23.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 71.22 112.51 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.17 11.92 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 62.34 110.846 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.87 135.64 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 74.51 110.955 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.26 -49.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.2 110.891 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.33 157.87 35.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 71.52 110.801 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.1 47.03 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.877 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.08 65.37 6.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.922 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -165.43 25.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 71.51 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.66 -178.52 29.97 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 62.33 112.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 74.0 110.865 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.735 0.302 . . . . 73.32 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.98 147.43 46.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.34 110.942 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -97.35 144.06 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.25 -174.06 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.834 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.48 -150.01 47.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 74.34 112.485 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -21.07 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 72.04 110.855 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -80.76 -0.88 40.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.933 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.03 35.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 75.13 111.151 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 57.93 29.81 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 75.54 110.815 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.03 26.58 55.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.1 139.03 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 75.15 111.08 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -98.67 157.53 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.4 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.52 32.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.678 0.751 . . . . 75.35 110.876 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.46 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.73 2.287 . . . . 73.1 112.281 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -79.67 171.33 15.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.846 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.77 12.75 8.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.816 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.18 159.75 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.15 135.74 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.929 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -101.84 109.89 21.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.861 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 138.18 34.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.847 -0.692 . . . . 72.2 112.478 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -45.36 -30.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 74.53 110.913 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -83.2 37.92 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.937 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.94 43.53 17.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 73.2 112.469 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -130.51 105.25 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 75.13 110.9 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.68 123.57 32.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.866 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.27 7.88 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 32.24 112.445 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.93 -174.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 64.31 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.4 158.85 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 72.43 112.441 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -17.37 62.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 71.44 110.874 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.19 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 64.4 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.82 -17.73 9.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.927 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.81 -24.87 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.52 10.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 74.42 112.474 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.48 110.88 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 71.42 111.179 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.16 -23.57 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 64.43 112.471 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -140.04 11.84 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 72.41 110.827 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -89.9 135.72 33.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.33 -49.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.43 157.93 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 63.52 110.829 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 52.09 46.73 26.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.13 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.68 65.44 5.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.919 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -165.37 25.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.48 -178.85 30.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 74.21 112.47 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 73.45 110.844 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.774 0.321 . . . . 74.52 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.2 147.37 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.843 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -97.35 143.9 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.851 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.17 -174.32 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 63.32 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.52 -149.04 51.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 61.22 112.455 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.75 -21.43 55.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 71.15 110.818 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.52 -1.2 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 65.33 110.932 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.69 34.19 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.31 111.144 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.98 30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.898 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 24.23 59.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 71.55 112.505 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 139.78 39.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 73.02 111.153 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -99.81 160.04 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.957 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -105.65 158.75 31.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 72.11 110.881 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.356 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -78.68 171.25 15.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.02 110.892 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.33 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 44.4 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.34 160.11 38.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.873 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -121.76 135.49 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.902 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.8 t -102.05 109.41 21.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 62.4 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 138.17 35.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.796 -0.716 . . . . 73.05 112.518 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -30.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 70.23 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -82.98 37.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.21 16.43 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -130.21 105.33 7.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 71.11 110.851 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.6 m -87.8 123.55 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.81 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.23 7.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.677 -0.773 . . . . 62.25 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.89 -174.64 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 73.33 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.21 159.02 5.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 74.1 112.472 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -17.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 64.22 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.35 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.049 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -118.99 -17.44 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.948 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.77 -24.62 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 75.32 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.91 163.39 10.35 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.49 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.59 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 73.25 111.131 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.08 -23.36 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 64.11 112.459 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -139.96 11.82 2.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 73.52 110.882 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.86 135.77 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 71.02 110.916 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.04 -49.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.923 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.96 157.48 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.806 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 53.01 46.67 26.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 71.42 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.45 65.53 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -165.57 25.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.809 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 178.36 32.32 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.737 -0.744 . . . . 73.25 112.453 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 65.43 110.875 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.697 0.284 . . . . 65.31 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.95 147.33 46.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.871 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -97.43 144.16 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.849 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.12 -174.37 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 63.41 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.8 -149.14 51.56 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 73.5 112.402 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.82 -21.64 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 73.54 110.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.24 -1.38 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.922 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.22 33.98 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.132 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 59.03 30.35 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 74.21 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.06 24.17 60.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.667 -0.778 . . . . 54.43 112.483 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.96 139.99 39.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 75.53 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -100.02 160.14 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.905 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.72 158.73 31.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.728 0.775 . . . . 70.33 110.83 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -175.82 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.674 2.249 . . . . 75.5 112.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -78.84 171.32 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 71.02 110.9 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.09 12.32 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.803 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.55 160.08 38.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.5 m -121.4 135.48 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.876 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.17 108.55 19.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.847 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 138.03 37.33 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.68 -0.772 . . . . 63.41 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.47 -30.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 63.4 110.878 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -83.17 38.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.96 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 72.54 112.498 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -130.33 105.27 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 64.35 110.913 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.5 m -87.7 123.48 32.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.27 -158.38 7.94 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.791 -0.718 . . . . 65.33 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.86 -174.54 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 73.45 110.909 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.78 5.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 74.11 112.499 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.52 -17.49 62.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.758 0.313 . . . . 65.44 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.13 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 64.53 111.068 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -118.88 -17.69 9.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.925 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.74 -24.59 21.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.86 9.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 72.41 112.539 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.16 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.84 0.352 . . . . 64.34 111.111 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.3 -23.58 0.76 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 72.23 112.473 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.3 t -140.08 11.91 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 74.32 110.797 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 t -89.96 135.48 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -129.01 -51.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.883 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.98 157.02 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.864 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 53.74 47.32 23.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 71.05 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.6 m -80.93 65.26 6.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.85 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 ttm-85 -165.68 25.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.892 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 178.4 27.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 74.34 112.538 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 75.51 110.862 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.732 0.301 . . . . 74.52 111.11 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.99 147.29 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 64.21 110.996 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -97.32 143.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.874 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.14 -174.17 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 51.21 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.32 -149.43 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 75.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -21.58 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 70.51 110.872 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -80.12 -1.59 40.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.958 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.36 34.34 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 58.74 30.27 19.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.1 110.826 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.66 59.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 62.4 112.502 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 140.12 39.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 72.22 111.139 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -100.07 159.33 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 72.11 110.909 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.71 158.79 31.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 75.3 110.87 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -175.68 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 72.4 112.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -78.88 171.38 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 64.11 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.9 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.53 159.91 39.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 64.51 110.922 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.57 135.51 55.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.871 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.69 108.82 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.897 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.85 138.16 37.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 60.12 112.524 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -45.39 -30.6 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.309 . . . . 75.43 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -83.1 37.83 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 71.31 110.946 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.29 16.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 52.52 112.488 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -130.41 105.43 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 74.4 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.64 123.55 32.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.35 7.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 62.02 112.505 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.74 -174.55 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 73.53 110.855 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.06 159.0 4.94 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.725 -0.75 . . . . 74.13 112.476 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.36 -17.18 62.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 73.31 110.882 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.42 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 72.51 111.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.89 -17.57 9.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 71.15 110.888 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.85 -24.79 21.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.15 110.816 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.49 10.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.749 -0.739 . . . . 71.45 112.567 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.13 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.768 0.318 . . . . 75.23 111.098 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.35 -23.45 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.662 -0.78 . . . . 73.24 112.498 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -140.03 11.81 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 71.01 110.843 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 t -89.91 135.61 33.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.85 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.17 -50.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 71.31 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.83 156.24 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.848 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 54.56 47.28 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 72.14 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.3 m -81.12 65.09 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 64.22 110.91 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -165.75 25.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.872 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.75 -179.96 29.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 62.11 112.448 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 75.12 110.88 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.748 0.309 . . . . 63.23 111.073 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.68 147.39 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.922 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.26 144.22 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.895 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 3.9 p -141.21 -174.35 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 62.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.15 -149.33 51.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.721 . . . . 72.1 112.475 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -21.73 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 75.12 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.06 -1.69 41.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.82 33.89 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.3 30.47 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.917 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.51 61.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.712 -0.756 . . . . 64.31 112.487 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.44 139.7 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 72.33 111.083 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -99.98 160.37 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 73.25 110.957 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.63 158.7 31.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 74.42 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.79 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 71.23 112.361 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -78.69 171.3 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.861 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.53 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.68 160.05 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 74.2 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.6 m -121.65 135.53 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.07 109.28 20.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.46 138.18 35.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 71.5 112.496 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -45.28 -30.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 72.12 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -83.18 37.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 64.24 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 64.51 112.465 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -130.12 105.11 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 74.04 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.69 123.49 32.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 74.22 110.849 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.37 -158.5 8.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.699 -0.762 . . . . 51.54 112.42 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.55 -174.51 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 63.35 110.876 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.95 158.87 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.706 -0.759 . . . . 63.53 112.523 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -17.34 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 52.5 110.879 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -32.64 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 62.15 111.069 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.92 -17.44 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.54 110.922 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -24.39 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.899 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.83 163.17 10.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 73.45 112.437 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.51 112.24 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 62.22 111.129 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.08 -23.0 0.59 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 74.41 112.504 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -140.03 11.8 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 64.44 110.884 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.0 t -89.79 135.83 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 54.14 110.896 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.97 -49.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.921 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.93 157.4 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.862 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 53.05 46.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.941 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.53 65.53 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.893 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -165.61 25.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.27 178.13 31.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 61.35 112.502 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 72.14 110.915 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 75.03 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.36 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.9 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -97.22 143.77 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.824 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.3 -173.82 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 53.33 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.85 -148.6 50.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 62.2 112.522 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.75 -20.96 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 71.03 110.833 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -81.31 -0.22 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.08 34.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.33 111.086 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.93 30.72 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.53 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 23.87 60.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 65.13 112.471 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.01 132.09 36.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 74.52 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -93.88 161.38 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.843 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.73 158.59 32.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 74.05 110.902 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 72.14 112.416 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.3 171.44 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.895 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.92 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.52 110.915 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.22 160.05 39.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 74.35 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.2 m -121.61 135.48 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.941 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -102.38 108.7 20.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 138.17 36.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 71.02 112.468 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -45.32 -30.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 75.05 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -83.06 38.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 72.15 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.69 42.99 15.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 74.03 112.528 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -129.69 105.06 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.32 110.911 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 m -87.95 123.6 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.76 8.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 71.33 112.519 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.98 -174.58 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 74.22 110.81 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 159.32 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.511 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -16.95 61.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.785 0.326 . . . . 61.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.55 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 74.23 111.07 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -118.67 -17.96 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.51 110.935 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -25.07 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 75.04 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 163.98 9.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.64 -0.791 . . . . 70.53 112.532 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.2 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 64.11 111.117 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.79 -25.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.753 . . . . 64.23 112.478 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -140.12 12.05 2.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.936 0.398 . . . . 75.22 110.855 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.86 134.19 34.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 61.31 110.924 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.22 -52.93 1.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.48 156.26 42.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 64.32 110.883 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.02 45.21 18.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 72.24 110.932 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.9 m -80.45 65.52 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 62.33 110.889 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.69 25.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.857 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.77 179.19 23.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.781 -0.723 . . . . 71.3 112.514 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 61.23 110.82 -179.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.695 0.283 . . . . 73.13 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.39 147.31 45.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.881 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -97.17 143.73 27.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.853 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.23 -173.84 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.86 -148.29 50.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.719 . . . . 74.31 112.433 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.64 -20.91 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 74.1 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.49 -0.07 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.11 34.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.069 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.48 30.78 20.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.883 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.18 22.89 62.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 74.43 112.519 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.92 136.5 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 54.33 111.132 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -97.85 161.53 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.62 31.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.63 0.729 . . . . 74.02 110.933 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -175.23 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 73.15 112.312 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -78.43 171.41 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.82 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.19 11.94 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -134.14 160.14 38.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.905 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.69 135.57 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -102.63 108.83 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.1 138.16 36.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 63.54 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -30.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 64.41 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -82.96 37.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 70.52 110.956 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 42.93 15.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 62.2 112.479 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -129.72 105.12 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 75.44 110.94 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.93 123.6 32.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 60.04 110.849 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.82 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.695 -0.764 . . . . 63.3 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.91 -174.53 3.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 73.22 110.832 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.62 159.39 4.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 73.34 112.486 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.41 -16.9 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.762 0.315 . . . . 65.12 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.8 -32.54 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -118.62 -17.95 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.899 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.92 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.843 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.95 9.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 73.15 112.482 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 110.41 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 53.5 111.063 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.6 -25.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.421 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -140.1 11.92 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 74.51 110.858 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.1 t -89.9 134.04 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.1 -52.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.934 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.49 156.22 42.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.871 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 58.1 45.24 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 52.53 110.89 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 80.9 m -80.47 65.53 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.939 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -165.73 25.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.869 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 179.05 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 51.43 112.494 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 72.41 110.886 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.672 0.272 . . . . 65.31 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 147.3 46.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -97.21 143.63 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.44 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.23 -174.26 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 54.34 110.889 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -149.3 51.05 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.749 -0.738 . . . . 64.21 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -58.71 -21.14 54.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 72.5 110.833 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -81.07 -0.42 39.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.963 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.01 34.56 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.22 111.134 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 58.24 30.25 19.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.795 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 25.6 57.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 74.43 112.457 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.47 131.99 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 63.55 111.06 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -93.13 159.94 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.888 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.84 158.53 32.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 72.51 110.848 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.29 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 63.44 112.406 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -78.58 171.5 15.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 71.03 110.883 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.94 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.19 159.5 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -121.71 135.53 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.84 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 107.87 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 55.03 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 138.36 39.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 40.11 112.484 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -31.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 72.03 110.829 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.7 38.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 73.41 110.904 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.28 14.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.737 . . . . 54.33 112.5 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -130.19 105.75 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 71.13 110.899 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.94 123.47 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 -158.66 8.05 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 63.12 112.518 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.67 -174.63 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 61.44 110.859 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.7 159.32 4.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 72.3 112.484 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -16.72 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 74.03 110.905 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.64 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.52 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.73 -18.1 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.965 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -25.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 75.45 110.927 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.94 9.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 74.44 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 111.87 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 62.12 111.118 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.02 -24.76 0.55 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 74.32 112.531 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -140.06 11.86 2.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 63.13 110.871 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.8 134.73 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.82 -52.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.23 156.28 43.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 58.11 44.81 18.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.879 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.6 m -79.85 65.92 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -165.75 25.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.36 179.15 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 63.12 112.431 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 74.42 110.898 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.762 0.315 . . . . 73.44 111.082 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.33 147.33 45.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.83 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -97.25 143.67 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.893 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.26 -174.28 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.916 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.46 -148.83 51.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 50.55 112.464 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.74 -20.97 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 71.12 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.37 -0.12 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.4 110.899 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.05 34.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.142 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 30.46 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 24.24 60.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.848 -0.692 . . . . 61.21 112.456 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 136.96 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 74.42 111.112 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -97.62 160.25 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.91 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.77 158.54 32.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 75.35 110.895 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 71.44 112.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -78.42 171.39 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.907 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 12.01 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 63.53 110.867 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.24 159.48 40.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.938 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.73 135.53 54.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.894 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.3 t -101.27 108.08 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 62.42 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.2 138.38 38.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.804 -0.712 . . . . 53.14 112.432 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -31.06 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 71.13 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -82.71 38.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 72.05 110.956 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.48 43.26 14.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 75.23 112.458 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -130.09 105.69 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.374 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 m -87.87 123.6 32.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.34 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.23 -158.81 8.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 73.1 112.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.61 -174.64 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 71.34 110.827 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.64 159.25 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 51.51 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.21 -16.71 61.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.365 . . . . 62.01 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.65 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.45 111.107 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -118.7 -18.15 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.864 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.9 -24.98 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 61.5 110.849 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.88 163.95 9.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.496 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 111.89 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 74.3 111.061 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.05 -24.81 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 71.4 112.412 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.08 11.97 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 63.51 110.904 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -89.87 134.74 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 70.14 110.854 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.79 -52.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 75.43 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.17 156.3 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.867 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 58.09 44.87 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.903 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.5 m -79.91 65.9 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.839 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.73 25.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.53 110.866 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 179.23 25.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.68 -0.771 . . . . 63.14 112.56 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 74.43 110.938 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 74.04 111.074 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.1 147.29 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.24 143.7 27.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.22 -174.22 3.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 63.44 110.93 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.2 -149.03 51.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.658 -0.782 . . . . 74.31 112.539 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.66 -21.07 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 74.14 110.871 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -81.2 -0.33 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.53 110.881 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.07 34.52 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 75.22 111.066 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 58.68 30.19 19.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.17 24.84 58.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 71.42 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 135.15 37.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 63.42 111.179 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -95.98 160.03 14.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 74.24 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.7 158.56 32.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 63.32 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -175.2 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 63.44 112.299 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.65 171.44 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.873 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.92 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.875 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.06 159.42 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 70.12 110.954 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.2 m -121.65 135.61 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.33 108.05 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.816 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 138.41 38.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 72.1 112.514 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -45.19 -31.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 72.43 110.87 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -82.73 38.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.899 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.46 43.19 14.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 64.34 112.496 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -130.11 105.75 8.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 75.1 110.831 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.92 123.6 32.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 72.1 110.866 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.78 8.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 64.11 112.495 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.6 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 65.22 110.855 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.59 159.35 4.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 74.14 112.544 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.28 -16.73 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 74.24 110.816 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.71 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 71.14 111.171 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.73 -18.09 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.915 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.84 -25.02 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.85 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.8 163.86 9.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 65.34 112.587 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.53 111.78 16.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 71.23 111.123 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.07 -24.67 0.54 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.504 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 t -140.19 12.0 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 71.45 110.883 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 t -89.9 134.65 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.882 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 -52.96 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.07 156.34 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 44.32 110.846 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.13 44.85 18.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.2 m -79.89 65.87 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.878 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.68 25.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.11 179.17 24.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 64.33 112.506 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 71.42 110.908 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.748 0.309 . . . . 63.33 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.32 147.3 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.947 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -97.32 143.68 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.785 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.24 -174.29 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 65.31 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.36 -149.14 51.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 73.11 112.436 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.68 -21.02 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 72.42 110.854 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -81.24 -0.24 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.949 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 34.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.7 30.24 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.02 110.855 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.93 58.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 73.11 112.459 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.54 135.44 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 64.01 111.092 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -96.18 159.85 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.843 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 m -105.72 158.53 32.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 71.32 110.887 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -175.2 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.669 2.246 . . . . 73.23 112.326 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -78.63 171.53 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.836 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.1 12.0 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.16 159.6 40.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.943 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.82 135.55 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.856 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 108.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.934 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.29 138.35 38.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 65.13 112.486 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -45.17 -30.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.702 0.287 . . . . 74.45 110.877 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -82.76 38.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 75.21 110.851 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.25 14.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 72.34 112.466 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -130.22 105.92 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 70.2 110.878 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -88.02 123.56 32.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.88 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.25 -158.84 8.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 72.1 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.4 -174.66 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 60.23 110.805 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.77 159.23 4.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 74.21 112.496 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -63.22 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 64.23 110.864 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.77 72.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 70.22 111.098 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -118.72 -18.01 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 65.41 110.936 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.88 -25.09 21.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.893 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.97 163.91 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 65.33 112.488 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.5 15.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 63.24 111.037 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.33 -24.7 0.52 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.759 . . . . 64.31 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -140.13 12.1 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 74.41 110.829 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.91 134.75 34.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.903 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.92 -52.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.911 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.18 156.33 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.806 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 58.06 44.72 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 74.14 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m -79.79 66.06 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.03 110.899 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.76 25.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 70.41 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.63 179.5 26.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 71.33 112.457 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.304 . . . . 75.1 110.878 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.714 0.293 . . . . 51.55 111.14 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.35 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.912 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.21 143.68 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.849 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.34 -173.95 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.73 -150.62 51.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 64.25 112.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.68 -20.6 49.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.723 0.297 . . . . 70.21 110.866 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.58 0.17 39.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.11 110.943 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.89 33.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 71.3 111.097 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 61.48 28.9 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.56 65.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 71.15 112.509 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 128.84 34.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 71.24 111.073 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -90.73 163.34 14.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 72.5 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.77 158.65 31.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 64.03 110.875 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.29 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 75.42 112.334 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.07 171.47 14.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.99 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 73.42 110.895 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -134.5 160.36 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.95 135.34 54.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.922 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -102.64 108.44 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 52.41 110.877 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.77 138.14 37.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 75.22 112.454 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -45.23 -30.75 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 74.12 110.928 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -82.95 38.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.944 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.75 42.73 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 75.12 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -129.45 105.11 7.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.891 0.377 . . . . 75.05 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.95 123.64 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.87 8.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.832 -0.699 . . . . 74.12 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.95 -174.62 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 72.14 110.843 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.78 159.35 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 73.1 112.533 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.31 -17.09 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 73.33 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.1 111.119 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.7 -17.71 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.938 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.93 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.89 9.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.7 -0.762 . . . . 72.22 112.525 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.7 110.74 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 75.23 111.092 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.96 -25.31 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 74.11 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -140.08 11.94 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 74.4 110.853 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.6 t -89.95 134.39 34.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 72.41 110.921 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -124.22 -52.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.935 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.68 155.72 43.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.825 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 58.19 46.31 16.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 72.22 110.949 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.7 m -81.16 65.23 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 62.11 110.867 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -165.67 25.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.882 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.29 178.96 21.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.735 . . . . 61.41 112.476 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 64.04 110.886 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.727 0.298 . . . . 71.0 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 147.35 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 73.34 110.868 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.26 144.79 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.912 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 p -141.57 -174.37 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.45 -148.16 51.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 71.2 112.517 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.72 -20.97 53.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 73.31 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -81.69 0.13 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 33.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 61.23 111.119 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.32 30.48 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.874 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.61 60.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 74.01 112.482 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.68 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 75.21 111.077 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -98.27 160.81 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.72 158.52 32.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 52.41 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -175.26 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.645 2.23 . . . . 72.44 112.341 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.44 171.43 15.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.14 11.97 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 61.21 110.858 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -134.16 159.33 41.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.93 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -121.46 135.49 55.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.929 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.53 108.18 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 138.33 38.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.553 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -45.0 -31.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.352 . . . . 73.41 110.923 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.87 38.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.35 14.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 72.52 112.487 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -129.81 105.21 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.958 0.409 . . . . 74.14 110.867 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 m -88.03 123.42 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.63 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 73.52 112.539 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.65 3.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 60.31 110.803 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.49 159.14 4.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 34.53 112.474 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -16.87 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 72.12 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.49 -32.71 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 62.32 111.091 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -118.89 -17.8 9.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.894 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.81 -24.82 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.807 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.77 163.86 9.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 74.02 112.547 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.56 113.72 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 74.45 111.093 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.97 -24.45 0.71 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.777 . . . . 71.24 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 12.14 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 74.32 110.842 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.86 134.78 34.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 62.14 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.03 -52.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.859 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.19 156.02 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.889 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 58.19 45.08 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.878 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.8 m -80.06 65.74 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.904 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -165.72 25.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.871 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.3 179.32 25.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 73.34 112.419 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 73.32 110.85 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.755 0.312 . . . . 71.04 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.14 147.38 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 75.32 110.906 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -97.4 144.06 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.843 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.12 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 72.03 110.86 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.52 -149.3 48.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 50.43 112.441 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -58.66 -21.12 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 42.55 110.859 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -80.87 -0.7 40.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.853 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 64.1 111.089 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 58.11 30.1 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.892 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 25.9 56.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.831 -0.7 . . . . 74.13 112.46 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.18 140.24 38.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 71.42 111.043 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.95 158.48 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 55.45 110.884 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.77 158.63 31.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.671 0.748 . . . . 64.42 110.842 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -175.52 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.264 . . . . 75.42 112.355 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -79.55 171.52 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.87 12.51 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.835 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.28 160.25 37.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -121.13 135.58 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.886 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t -102.31 109.08 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 55.23 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 137.92 36.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.447 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -45.47 -30.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 73.32 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -83.22 37.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.98 43.38 17.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 61.05 112.549 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -130.67 105.28 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 75.44 110.938 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.72 123.51 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.882 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.49 7.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 71.33 112.525 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 75.04 110.859 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.86 5.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.525 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -17.47 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 73.04 110.886 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.76 -31.98 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.5 111.092 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.96 -17.67 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.908 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.9 m -89.72 -24.77 21.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 71.24 110.945 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.87 163.67 9.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.78 -0.724 . . . . 53.14 112.474 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 111.94 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 74.21 111.091 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.99 -23.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 33.24 112.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -140.04 11.87 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 74.43 110.838 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.9 135.38 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.26 -51.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.6 157.41 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.824 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 53.01 47.4 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 74.43 110.898 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.29 65.14 6.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 75.5 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -165.58 25.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.855 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.04 179.87 26.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 74.34 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.752 0.31 . . . . 71.14 110.91 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 61.51 111.071 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.94 147.4 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.941 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -97.4 144.02 27.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.02 -173.85 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 71.23 110.912 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.19 -149.5 47.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 64.11 112.509 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -58.76 -21.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 73.31 110.804 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.69 -0.92 40.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 53.23 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 64.45 111.094 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 57.85 29.9 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.84 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.54 55.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 71.44 112.454 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.42 139.35 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 75.02 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -99.0 157.78 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 64.53 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.68 158.57 32.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 65.33 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.53 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.711 2.274 . . . . 75.22 112.333 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -79.73 171.59 14.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.877 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.5 8.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.934 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.32 160.13 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 75.43 110.823 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.5 m -120.91 135.55 55.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.2 110.811 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.6 t -102.22 108.93 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 63.31 110.929 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.98 137.89 36.62 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.758 -0.734 . . . . 71.45 112.437 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -45.71 -30.27 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 74.34 110.82 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -83.3 37.69 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 74.04 110.948 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.21 43.49 18.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 73.34 112.48 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.89 105.33 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 75.21 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.3 m -87.74 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.4 7.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.77 -0.729 . . . . 71.52 112.542 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.937 0.398 . . . . 73.23 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.66 5.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 52.22 112.501 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.31 -17.46 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 72.13 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -32.14 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.43 111.102 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.78 -17.74 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.874 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.72 -24.79 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 51.44 110.881 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 163.73 9.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 64.33 112.499 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.62 111.78 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 75.53 111.089 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.19 -23.79 0.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 63.3 112.454 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -140.09 11.93 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 75.51 110.886 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.95 135.32 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.29 -51.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.14 110.816 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.29 157.6 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.86 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.73 47.46 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 73.45 110.922 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.26 65.23 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -165.48 25.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.86 -179.71 25.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.778 . . . . 63.42 112.562 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 72.42 110.884 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.72 0.295 . . . . 65.33 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.93 147.34 46.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 72.54 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -97.36 144.07 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.865 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.15 -173.93 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.877 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.4 -149.24 48.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 64.14 112.532 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.76 -21.03 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 71.03 110.836 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -80.84 -0.68 39.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.23 110.939 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.06 34.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.11 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.13 30.05 18.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.84 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 25.8 56.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 41.3 112.509 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.54 39.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 73.23 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 158.31 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.69 158.6 31.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 75.33 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -175.4 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 62.24 112.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -79.68 171.49 15.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 70.3 110.925 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.4 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.29 160.12 38.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 70.2 110.915 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -121.06 135.5 55.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.2 109.26 20.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 61.42 110.829 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 137.96 35.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 73.05 112.503 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -45.55 -30.49 1.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.765 0.317 . . . . 74.31 110.882 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.16 37.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.06 43.44 17.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 73.1 112.523 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -130.74 105.25 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 71.34 110.865 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.7 123.49 32.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 75.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.45 7.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 75.11 112.462 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.81 -174.65 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 65.45 110.866 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.36 158.82 5.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 71.43 112.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -17.28 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 74.42 110.85 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.33 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.01 111.105 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -118.71 -17.68 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 75.2 110.936 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.69 -24.84 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.01 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.84 163.8 9.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.758 . . . . 73.45 112.438 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.71 112.06 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 75.34 111.129 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.79 -23.66 0.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.5 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 t -140.1 11.85 2.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 74.14 110.876 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.81 135.26 33.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -129.3 -51.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -124.58 157.69 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.03 110.841 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 52.81 47.26 25.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.5 m -81.21 65.2 6.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.906 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -165.56 25.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 73.55 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.31 179.96 27.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 60.42 112.46 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 73.35 110.835 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.718 0.294 . . . . 54.42 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.01 147.34 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.9 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -97.19 143.95 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.936 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.16 -174.0 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.86 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.85 48.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 54.4 112.5 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -21.03 54.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.742 0.306 . . . . 72.4 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -80.8 -0.84 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.02 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.11 111.118 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.92 29.96 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.13 26.26 55.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 72.41 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.3 137.75 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 73.24 111.066 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 158.04 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 70.53 110.851 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.86 158.66 31.91 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.648 0.737 . . . . 55.4 110.879 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 74.44 112.303 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -79.7 171.24 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.44 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.79 12.72 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.891 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.14 159.86 38.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 74.22 110.913 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.36 135.71 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 65.31 110.937 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.85 110.26 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.26 138.17 34.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 61.42 112.514 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -45.18 -30.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 73.45 110.936 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -83.19 38.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.935 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.85 43.55 16.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 44.53 112.536 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -130.49 105.09 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 64.54 110.854 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.49 123.63 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.3 -158.64 8.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 64.03 112.504 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.51 -174.56 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 64.32 110.815 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.09 158.93 4.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 44.33 112.547 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -63.29 -17.38 62.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 70.42 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.41 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 64.43 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -118.88 -17.76 9.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 73.15 110.967 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.72 -24.83 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 73.5 110.906 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.74 163.27 10.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 72.44 112.543 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.47 110.38 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 71.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.61 -23.48 0.42 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 75.35 112.474 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -139.96 11.75 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 74.41 110.891 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 t -89.8 135.95 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.86 -49.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 73.42 110.896 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.96 158.66 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.848 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 51.82 45.37 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.937 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.68 66.1 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 65.41 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -165.55 25.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.937 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 179.06 33.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.732 -0.747 . . . . 60.43 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.11 110.85 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.761 0.315 . . . . 72.12 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.78 147.36 46.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -97.28 143.98 27.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.16 -174.08 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.847 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.54 -149.84 48.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 74.13 112.497 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.65 -21.15 53.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.747 0.308 . . . . 74.13 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.66 -0.84 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.968 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.95 35.09 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 71.54 111.046 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.97 29.89 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.915 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 26.29 55.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 74.32 112.471 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.05 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 75.22 111.032 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -99.57 157.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.895 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.79 158.5 32.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 74.13 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 -175.43 1.13 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.708 2.272 . . . . 72.24 112.356 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -79.64 171.4 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.931 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.7 12.79 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.23 110.828 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.2 159.85 38.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 60.55 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.22 135.76 55.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 44.41 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.04 109.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.88 138.22 34.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 75.13 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -45.36 -30.83 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 73.3 110.918 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -83.13 37.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.92 43.48 16.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 65.1 112.523 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -130.52 105.26 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 75.2 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.7 m -87.71 123.58 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.857 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.34 7.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 61.5 112.493 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.947 0.404 . . . . 71.53 110.804 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.35 158.84 5.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 74.43 112.479 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -17.34 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 61.25 110.825 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.14 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.114 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -118.82 -17.72 9.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.977 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.74 -24.81 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 75.55 110.912 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.89 163.61 10.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 74.44 112.501 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.89 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 74.12 111.116 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.12 -23.54 0.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.499 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 t -140.07 11.97 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.955 0.407 . . . . 54.23 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.9 135.64 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 74.31 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.15 -49.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.5 157.76 36.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.821 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.28 46.94 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.874 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.9 m -80.89 65.39 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 72.31 110.924 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.42 25.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.41 -179.03 30.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 51.01 112.445 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 51.23 110.907 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.725 0.298 . . . . 55.24 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.04 147.33 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 70.21 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -97.26 143.98 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.16 -174.11 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.84 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.7 -149.75 48.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.485 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.82 -21.03 55.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 72.34 110.824 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -80.77 -0.74 39.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.98 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.134 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 57.98 30.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.858 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 26.06 56.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 44.22 112.526 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 74.12 111.112 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -98.99 158.05 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.845 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.85 158.55 32.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.721 0.772 . . . . 63.44 110.836 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.702 2.268 . . . . 61.43 112.306 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.63 171.27 15.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.78 12.79 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.843 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.15 159.87 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.36 135.67 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.895 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.91 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 138.27 34.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.763 -0.732 . . . . 71.15 112.427 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -45.33 -30.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 73.32 110.868 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -83.09 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.903 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.47 16.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.689 -0.767 . . . . 72.22 112.538 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -130.52 105.23 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 75.23 110.835 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.8 m -87.73 123.58 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.14 -158.38 7.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 61.12 112.493 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.57 3.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 74.34 110.856 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.34 158.86 5.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 74.42 112.494 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.54 -17.23 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 73.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.123 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.916 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.85 -24.81 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.809 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.9 163.51 10.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 71.44 112.432 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 110.79 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 72.33 111.124 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.29 -23.57 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.764 . . . . 71.12 112.493 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -140.08 11.88 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 74.21 110.845 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.88 135.75 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.862 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.24 -49.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.35 157.44 36.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.92 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.54 47.1 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.957 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.27 65.28 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 43.23 110.897 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -165.5 25.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.7 -178.35 29.8 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.784 -0.722 . . . . 74.31 112.468 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 73.44 110.914 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.695 0.283 . . . . 74.32 111.119 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.06 147.38 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.15 110.929 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -97.36 143.98 27.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.05 110.813 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.1 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 65.34 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.58 -150.06 48.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 61.43 112.497 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.71 -21.13 54.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 72.01 110.826 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -80.66 -0.89 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 73.32 111.153 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.81 29.91 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.841 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.4 55.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 71.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 138.44 38.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 64.23 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -98.16 157.61 16.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.82 158.58 32.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.743 . . . . 53.52 110.855 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -175.49 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 74.22 112.326 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -79.59 171.42 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 60.03 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.9 t 65.64 12.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 52.14 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.14 159.78 39.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.956 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -121.24 135.66 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.948 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -101.75 109.9 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 70.05 110.954 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 138.23 34.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 42.24 112.484 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 73.23 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -83.07 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.936 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.81 43.57 16.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 44.25 112.527 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -130.6 105.18 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 74.13 110.866 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.59 123.58 32.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.16 -158.31 7.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 65.25 112.465 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.9 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 73.51 110.869 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.81 5.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 75.54 112.47 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -63.38 -17.32 62.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 62.14 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.16 71.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 62.41 111.069 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.925 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -24.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.66 10.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.666 -0.778 . . . . 62.21 112.439 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 111.09 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 73.24 111.063 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.08 -23.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 71.22 112.51 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.17 11.92 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 62.34 110.846 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.87 135.64 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 74.51 110.955 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.26 -49.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.2 110.891 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.33 157.87 35.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 71.52 110.801 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.1 47.03 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.877 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.08 65.37 6.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.922 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -165.43 25.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 71.51 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.66 -178.52 29.97 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 62.33 112.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 74.0 110.865 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.735 0.302 . . . . 73.32 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.98 147.43 46.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.34 110.942 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -97.35 144.06 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.25 -174.06 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.834 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.48 -150.01 47.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 74.34 112.485 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -21.07 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 72.04 110.855 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -80.76 -0.88 40.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.933 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.03 35.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 75.13 111.151 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 57.93 29.81 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 75.54 110.815 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.03 26.58 55.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.1 139.03 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 75.15 111.08 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -98.67 157.53 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.4 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.52 32.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.678 0.751 . . . . 75.35 110.876 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.46 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.73 2.287 . . . . 73.1 112.281 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -79.67 171.33 15.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.846 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.77 12.75 8.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.816 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.18 159.75 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.15 135.74 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.929 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -101.84 109.89 21.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.861 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 138.18 34.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.847 -0.692 . . . . 72.2 112.478 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -45.36 -30.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 74.53 110.913 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -83.2 37.92 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.937 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.94 43.53 17.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 73.2 112.469 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -130.51 105.25 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 75.13 110.9 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.68 123.57 32.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.866 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.27 7.88 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 32.24 112.445 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.93 -174.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 64.31 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.4 158.85 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 72.43 112.441 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -17.37 62.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 71.44 110.874 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.19 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 64.4 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.82 -17.73 9.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.927 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.81 -24.87 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.52 10.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 74.42 112.474 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.48 110.88 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 71.42 111.179 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.16 -23.57 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 64.43 112.471 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -140.04 11.84 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 72.41 110.827 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -89.9 135.72 33.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.33 -49.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.43 157.93 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 63.52 110.829 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 52.09 46.73 26.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.13 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.68 65.44 5.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.919 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -165.37 25.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.48 -178.85 30.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 74.21 112.47 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 73.45 110.844 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.774 0.321 . . . . 74.52 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.2 147.37 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.843 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -97.35 143.9 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.851 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.17 -174.32 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 63.32 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.52 -149.04 51.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 61.22 112.455 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.75 -21.43 55.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 71.15 110.818 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.52 -1.2 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 65.33 110.932 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.69 34.19 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.31 111.144 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.98 30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.898 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 24.23 59.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 71.55 112.505 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 139.78 39.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 73.02 111.153 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -99.81 160.04 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.957 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -105.65 158.75 31.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 72.11 110.881 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.356 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -78.68 171.25 15.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.02 110.892 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.33 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 44.4 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.34 160.11 38.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.873 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -121.76 135.49 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.902 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.8 t -102.05 109.41 21.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 62.4 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 138.17 35.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.796 -0.716 . . . . 73.05 112.518 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -30.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 70.23 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -82.98 37.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.21 16.43 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -130.21 105.33 7.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 71.11 110.851 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.6 m -87.8 123.55 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.81 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.23 7.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.677 -0.773 . . . . 62.25 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.89 -174.64 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 73.33 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.21 159.02 5.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 74.1 112.472 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -17.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 64.22 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.35 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.049 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -118.99 -17.44 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.948 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.77 -24.62 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 75.32 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.91 163.39 10.35 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.49 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.59 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 73.25 111.131 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.08 -23.36 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 64.11 112.459 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -139.96 11.82 2.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 73.52 110.882 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.86 135.77 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 71.02 110.916 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.04 -49.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.923 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.96 157.48 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.806 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 53.01 46.67 26.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 71.42 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.45 65.53 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -165.57 25.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.809 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 178.36 32.32 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.737 -0.744 . . . . 73.25 112.453 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 65.43 110.875 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.697 0.284 . . . . 65.31 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.95 147.33 46.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.871 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -97.43 144.16 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.849 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.12 -174.37 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 63.41 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.8 -149.14 51.56 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 73.5 112.402 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.82 -21.64 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 73.54 110.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.24 -1.38 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.922 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.22 33.98 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.132 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 59.03 30.35 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 74.21 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.06 24.17 60.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.667 -0.778 . . . . 54.43 112.483 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.96 139.99 39.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 75.53 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -100.02 160.14 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.905 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.72 158.73 31.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.728 0.775 . . . . 70.33 110.83 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -175.82 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.674 2.249 . . . . 75.5 112.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -78.84 171.32 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 71.02 110.9 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.09 12.32 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.803 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.55 160.08 38.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.5 m -121.4 135.48 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.876 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.17 108.55 19.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.847 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 138.03 37.33 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.68 -0.772 . . . . 63.41 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.47 -30.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 63.4 110.878 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -83.17 38.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.96 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 72.54 112.498 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -130.33 105.27 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 64.35 110.913 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.5 m -87.7 123.48 32.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.27 -158.38 7.94 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.791 -0.718 . . . . 65.33 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.86 -174.54 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 73.45 110.909 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.78 5.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 74.11 112.499 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.52 -17.49 62.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.758 0.313 . . . . 65.44 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.13 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 64.53 111.068 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -118.88 -17.69 9.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.925 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.74 -24.59 21.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.86 9.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 72.41 112.539 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.16 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.84 0.352 . . . . 64.34 111.111 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.3 -23.58 0.76 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 72.23 112.473 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.3 t -140.08 11.91 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 74.32 110.797 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 t -89.96 135.48 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -129.01 -51.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.883 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.98 157.02 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.864 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 53.74 47.32 23.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 71.05 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.6 m -80.93 65.26 6.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.85 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 ttm-85 -165.68 25.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.892 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 178.4 27.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 74.34 112.538 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 75.51 110.862 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.732 0.301 . . . . 74.52 111.11 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.99 147.29 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 64.21 110.996 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -97.32 143.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.874 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.14 -174.17 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 51.21 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.32 -149.43 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 75.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -21.58 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 70.51 110.872 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -80.12 -1.59 40.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.958 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.36 34.34 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 58.74 30.27 19.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.1 110.826 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.66 59.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 62.4 112.502 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 140.12 39.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 72.22 111.139 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -100.07 159.33 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 72.11 110.909 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.71 158.79 31.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 75.3 110.87 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -175.68 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 72.4 112.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -78.88 171.38 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 64.11 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.9 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.53 159.91 39.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 64.51 110.922 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.57 135.51 55.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.871 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.69 108.82 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.897 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.85 138.16 37.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 60.12 112.524 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -45.39 -30.6 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.309 . . . . 75.43 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -83.1 37.83 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 71.31 110.946 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.29 16.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 52.52 112.488 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -130.41 105.43 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 74.4 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.64 123.55 32.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.35 7.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 62.02 112.505 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.74 -174.55 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 73.53 110.855 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.06 159.0 4.94 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.725 -0.75 . . . . 74.13 112.476 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.36 -17.18 62.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 73.31 110.882 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.42 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 72.51 111.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.89 -17.57 9.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 71.15 110.888 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.85 -24.79 21.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 73.15 110.816 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.49 10.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.749 -0.739 . . . . 71.45 112.567 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.13 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.768 0.318 . . . . 75.23 111.098 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.35 -23.45 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.662 -0.78 . . . . 73.24 112.498 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -140.03 11.81 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 71.01 110.843 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 t -89.91 135.61 33.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.85 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.17 -50.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 71.31 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.83 156.24 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.848 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 54.56 47.28 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 72.14 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.3 m -81.12 65.09 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 64.22 110.91 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -165.75 25.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.872 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.75 -179.96 29.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 62.11 112.448 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 75.12 110.88 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.748 0.309 . . . . 63.23 111.073 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.68 147.39 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.922 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.26 144.22 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.895 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 3.9 p -141.21 -174.35 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 62.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.15 -149.33 51.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.721 . . . . 72.1 112.475 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -21.73 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 75.12 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.06 -1.69 41.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.82 33.89 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.3 30.47 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.917 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.51 61.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.712 -0.756 . . . . 64.31 112.487 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.44 139.7 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 72.33 111.083 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -99.98 160.37 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 73.25 110.957 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.63 158.7 31.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 74.42 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.79 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 71.23 112.361 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -78.69 171.3 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.861 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.53 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.68 160.05 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 74.2 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.6 m -121.65 135.53 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.07 109.28 20.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.46 138.18 35.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 71.5 112.496 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -45.28 -30.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 72.12 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -83.18 37.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 64.24 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 64.51 112.465 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -130.12 105.11 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 74.04 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.69 123.49 32.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 74.22 110.849 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.37 -158.5 8.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.699 -0.762 . . . . 51.54 112.42 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.55 -174.51 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 63.35 110.876 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.95 158.87 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.706 -0.759 . . . . 63.53 112.523 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -17.34 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 52.5 110.879 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -32.64 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 62.15 111.069 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.92 -17.44 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.54 110.922 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -24.39 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.899 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.83 163.17 10.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 73.45 112.437 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.51 112.24 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 62.22 111.129 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.08 -23.0 0.59 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 74.41 112.504 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -140.03 11.8 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 64.44 110.884 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.0 t -89.79 135.83 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 54.14 110.896 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.97 -49.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.921 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.93 157.4 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.862 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 53.05 46.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.941 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.53 65.53 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.893 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -165.61 25.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.27 178.13 31.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 61.35 112.502 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 72.14 110.915 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 75.03 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.36 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.9 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -97.22 143.77 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.824 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.3 -173.82 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 53.33 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.85 -148.6 50.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 62.2 112.522 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.75 -20.96 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 71.03 110.833 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -81.31 -0.22 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.08 34.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.33 111.086 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.93 30.72 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.53 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 23.87 60.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 65.13 112.471 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.01 132.09 36.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 74.52 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -93.88 161.38 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.843 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.73 158.59 32.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 74.05 110.902 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 72.14 112.416 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.3 171.44 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.895 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.92 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.52 110.915 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.22 160.05 39.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 74.35 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.2 m -121.61 135.48 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.941 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -102.38 108.7 20.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 138.17 36.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 71.02 112.468 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -45.32 -30.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 75.05 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -83.06 38.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 72.15 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.69 42.99 15.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 74.03 112.528 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -129.69 105.06 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.32 110.911 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 m -87.95 123.6 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.76 8.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 71.33 112.519 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.98 -174.58 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 74.22 110.81 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 159.32 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.511 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -16.95 61.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.785 0.326 . . . . 61.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.55 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 74.23 111.07 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -118.67 -17.96 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.51 110.935 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -25.07 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 75.04 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 163.98 9.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.64 -0.791 . . . . 70.53 112.532 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.2 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 64.11 111.117 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.79 -25.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.753 . . . . 64.23 112.478 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -140.12 12.05 2.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.936 0.398 . . . . 75.22 110.855 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.86 134.19 34.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 61.31 110.924 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.22 -52.93 1.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.48 156.26 42.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 64.32 110.883 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.02 45.21 18.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 72.24 110.932 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.9 m -80.45 65.52 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 62.33 110.889 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.69 25.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.857 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.77 179.19 23.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.781 -0.723 . . . . 71.3 112.514 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 61.23 110.82 -179.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.695 0.283 . . . . 73.13 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.39 147.31 45.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.881 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -97.17 143.73 27.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.853 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.23 -173.84 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.86 -148.29 50.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.719 . . . . 74.31 112.433 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.64 -20.91 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 74.1 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.49 -0.07 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.11 34.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.069 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.48 30.78 20.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.883 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.18 22.89 62.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 74.43 112.519 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.92 136.5 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 54.33 111.132 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -97.85 161.53 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.62 31.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.63 0.729 . . . . 74.02 110.933 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -175.23 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 73.15 112.312 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -78.43 171.41 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.82 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.19 11.94 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -134.14 160.14 38.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.905 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.69 135.57 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -102.63 108.83 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.1 138.16 36.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 63.54 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -30.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 64.41 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -82.96 37.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 70.52 110.956 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 42.93 15.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 62.2 112.479 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -129.72 105.12 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 75.44 110.94 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.93 123.6 32.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 60.04 110.849 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.82 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.695 -0.764 . . . . 63.3 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.91 -174.53 3.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 73.22 110.832 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.62 159.39 4.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 73.34 112.486 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.41 -16.9 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.762 0.315 . . . . 65.12 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.8 -32.54 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -118.62 -17.95 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.899 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.92 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.843 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.95 9.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 73.15 112.482 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 110.41 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 53.5 111.063 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.6 -25.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.421 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -140.1 11.92 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 74.51 110.858 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.1 t -89.9 134.04 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.1 -52.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.934 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.49 156.22 42.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.871 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 58.1 45.24 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 52.53 110.89 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 80.9 m -80.47 65.53 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.939 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -165.73 25.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.869 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 179.05 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 51.43 112.494 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 72.41 110.886 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.672 0.272 . . . . 65.31 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 147.3 46.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -97.21 143.63 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.44 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.23 -174.26 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 54.34 110.889 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -149.3 51.05 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.749 -0.738 . . . . 64.21 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -58.71 -21.14 54.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 72.5 110.833 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -81.07 -0.42 39.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.963 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.01 34.56 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.22 111.134 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 58.24 30.25 19.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.795 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 25.6 57.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 74.43 112.457 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.47 131.99 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 63.55 111.06 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -93.13 159.94 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.888 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.84 158.53 32.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 72.51 110.848 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.29 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 63.44 112.406 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -78.58 171.5 15.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 71.03 110.883 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.94 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.19 159.5 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -121.71 135.53 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.84 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 107.87 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 55.03 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 138.36 39.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 40.11 112.484 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -31.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 72.03 110.829 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.7 38.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 73.41 110.904 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.28 14.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.737 . . . . 54.33 112.5 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -130.19 105.75 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 71.13 110.899 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.94 123.47 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 -158.66 8.05 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 63.12 112.518 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.67 -174.63 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 61.44 110.859 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.7 159.32 4.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 72.3 112.484 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -16.72 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 74.03 110.905 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.64 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.52 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.73 -18.1 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.965 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -25.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 75.45 110.927 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.94 9.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 74.44 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 111.87 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 62.12 111.118 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.02 -24.76 0.55 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 74.32 112.531 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -140.06 11.86 2.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 63.13 110.871 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.8 134.73 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.82 -52.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.23 156.28 43.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 58.11 44.81 18.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.879 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.6 m -79.85 65.92 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -165.75 25.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.36 179.15 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 63.12 112.431 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 74.42 110.898 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.762 0.315 . . . . 73.44 111.082 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.33 147.33 45.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.83 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -97.25 143.67 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.893 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.26 -174.28 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.916 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.46 -148.83 51.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 50.55 112.464 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.74 -20.97 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 71.12 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.37 -0.12 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.4 110.899 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.05 34.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.142 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 30.46 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 24.24 60.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.848 -0.692 . . . . 61.21 112.456 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 136.96 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 74.42 111.112 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -97.62 160.25 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.91 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.77 158.54 32.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 75.35 110.895 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 71.44 112.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -78.42 171.39 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.907 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 12.01 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 63.53 110.867 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.24 159.48 40.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.938 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.73 135.53 54.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.894 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.3 t -101.27 108.08 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 62.42 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.2 138.38 38.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.804 -0.712 . . . . 53.14 112.432 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -31.06 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 71.13 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -82.71 38.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 72.05 110.956 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.48 43.26 14.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 75.23 112.458 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -130.09 105.69 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.374 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 m -87.87 123.6 32.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.34 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.23 -158.81 8.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 73.1 112.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.61 -174.64 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 71.34 110.827 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.64 159.25 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 51.51 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.21 -16.71 61.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.365 . . . . 62.01 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.65 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.45 111.107 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -118.7 -18.15 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.864 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.9 -24.98 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 61.5 110.849 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.88 163.95 9.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.496 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 111.89 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 74.3 111.061 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.05 -24.81 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 71.4 112.412 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.08 11.97 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 63.51 110.904 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -89.87 134.74 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 70.14 110.854 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.79 -52.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 75.43 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.17 156.3 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.867 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 58.09 44.87 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.903 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.5 m -79.91 65.9 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.839 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.73 25.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.53 110.866 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 179.23 25.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.68 -0.771 . . . . 63.14 112.56 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 74.43 110.938 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 74.04 111.074 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.1 147.29 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.24 143.7 27.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.22 -174.22 3.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 63.44 110.93 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.2 -149.03 51.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.658 -0.782 . . . . 74.31 112.539 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.66 -21.07 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 74.14 110.871 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -81.2 -0.33 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.53 110.881 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.07 34.52 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 75.22 111.066 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 58.68 30.19 19.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.17 24.84 58.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 71.42 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 135.15 37.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 63.42 111.179 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -95.98 160.03 14.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 74.24 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.7 158.56 32.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 63.32 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -175.2 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 63.44 112.299 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.65 171.44 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.873 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.92 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.875 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.06 159.42 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 70.12 110.954 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.2 m -121.65 135.61 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.33 108.05 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.816 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 138.41 38.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 72.1 112.514 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -45.19 -31.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 72.43 110.87 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -82.73 38.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.899 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.46 43.19 14.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 64.34 112.496 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -130.11 105.75 8.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 75.1 110.831 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.92 123.6 32.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 72.1 110.866 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.78 8.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 64.11 112.495 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.6 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 65.22 110.855 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.59 159.35 4.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 74.14 112.544 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.28 -16.73 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 74.24 110.816 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.71 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 71.14 111.171 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.73 -18.09 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.915 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.84 -25.02 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.85 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.8 163.86 9.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 65.34 112.587 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.53 111.78 16.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 71.23 111.123 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.07 -24.67 0.54 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.504 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 t -140.19 12.0 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 71.45 110.883 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 t -89.9 134.65 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.882 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 -52.96 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.07 156.34 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 44.32 110.846 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.13 44.85 18.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.2 m -79.89 65.87 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.878 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.68 25.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.11 179.17 24.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 64.33 112.506 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 71.42 110.908 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.748 0.309 . . . . 63.33 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.32 147.3 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.947 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -97.32 143.68 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.785 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.24 -174.29 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 65.31 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.36 -149.14 51.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 73.11 112.436 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.68 -21.02 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 72.42 110.854 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -81.24 -0.24 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.949 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 34.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.7 30.24 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.02 110.855 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.93 58.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 73.11 112.459 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.54 135.44 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 64.01 111.092 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -96.18 159.85 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.843 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 m -105.72 158.53 32.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 71.32 110.887 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -175.2 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.669 2.246 . . . . 73.23 112.326 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -78.63 171.53 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.836 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.1 12.0 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.16 159.6 40.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.943 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.82 135.55 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.856 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 108.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.934 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.29 138.35 38.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 65.13 112.486 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -45.17 -30.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.702 0.287 . . . . 74.45 110.877 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -82.76 38.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 75.21 110.851 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.25 14.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 72.34 112.466 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -130.22 105.92 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 70.2 110.878 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -88.02 123.56 32.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.88 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.25 -158.84 8.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 72.1 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.4 -174.66 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 60.23 110.805 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.77 159.23 4.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 74.21 112.496 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -63.22 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 64.23 110.864 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.77 72.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 70.22 111.098 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -118.72 -18.01 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 65.41 110.936 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.88 -25.09 21.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.893 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.97 163.91 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 65.33 112.488 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.5 15.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 63.24 111.037 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.33 -24.7 0.52 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.759 . . . . 64.31 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -140.13 12.1 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 74.41 110.829 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.91 134.75 34.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.903 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.92 -52.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.911 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.18 156.33 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.806 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 58.06 44.72 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 74.14 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m -79.79 66.06 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.03 110.899 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.76 25.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 70.41 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.63 179.5 26.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 71.33 112.457 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.304 . . . . 75.1 110.878 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.714 0.293 . . . . 51.55 111.14 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.35 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.912 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.21 143.68 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.849 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.34 -173.95 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.73 -150.62 51.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 64.25 112.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.68 -20.6 49.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.723 0.297 . . . . 70.21 110.866 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.58 0.17 39.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.11 110.943 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.89 33.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 71.3 111.097 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 61.48 28.9 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.56 65.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 71.15 112.509 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 128.84 34.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 71.24 111.073 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -90.73 163.34 14.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 72.5 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.77 158.65 31.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 64.03 110.875 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.29 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 75.42 112.334 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.07 171.47 14.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.99 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 73.42 110.895 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -134.5 160.36 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.95 135.34 54.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.922 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -102.64 108.44 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 52.41 110.877 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.77 138.14 37.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 75.22 112.454 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -45.23 -30.75 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 74.12 110.928 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -82.95 38.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.944 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.75 42.73 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 75.12 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -129.45 105.11 7.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.891 0.377 . . . . 75.05 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.95 123.64 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.87 8.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.832 -0.699 . . . . 74.12 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.95 -174.62 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 72.14 110.843 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.78 159.35 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 73.1 112.533 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.31 -17.09 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 73.33 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.1 111.119 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.7 -17.71 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.938 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.93 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.89 9.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.7 -0.762 . . . . 72.22 112.525 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.7 110.74 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 75.23 111.092 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.96 -25.31 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 74.11 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -140.08 11.94 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 74.4 110.853 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.6 t -89.95 134.39 34.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 72.41 110.921 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -124.22 -52.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.935 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.68 155.72 43.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.825 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 58.19 46.31 16.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 72.22 110.949 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.7 m -81.16 65.23 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 62.11 110.867 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -165.67 25.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.882 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.29 178.96 21.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.735 . . . . 61.41 112.476 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 64.04 110.886 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.727 0.298 . . . . 71.0 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 147.35 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 73.34 110.868 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.26 144.79 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.912 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 p -141.57 -174.37 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.45 -148.16 51.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 71.2 112.517 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.72 -20.97 53.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 73.31 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -81.69 0.13 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 33.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 61.23 111.119 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.32 30.48 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.874 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.61 60.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 74.01 112.482 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.68 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 75.21 111.077 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -98.27 160.81 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.72 158.52 32.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 52.41 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -175.26 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.645 2.23 . . . . 72.44 112.341 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.44 171.43 15.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.14 11.97 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 61.21 110.858 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -134.16 159.33 41.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.93 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -121.46 135.49 55.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.929 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.53 108.18 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 138.33 38.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.553 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -45.0 -31.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.352 . . . . 73.41 110.923 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.87 38.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.35 14.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 72.52 112.487 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -129.81 105.21 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.958 0.409 . . . . 74.14 110.867 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 m -88.03 123.42 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.63 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 73.52 112.539 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.65 3.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 60.31 110.803 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.49 159.14 4.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 34.53 112.474 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -16.87 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 72.12 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.49 -32.71 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 62.32 111.091 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -118.89 -17.8 9.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.894 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.81 -24.82 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.807 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.77 163.86 9.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 74.02 112.547 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.56 113.72 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 74.45 111.093 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.97 -24.45 0.71 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.777 . . . . 71.24 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 12.14 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 74.32 110.842 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.86 134.78 34.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 62.14 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.03 -52.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.859 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.19 156.02 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.889 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 58.19 45.08 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.878 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.8 m -80.06 65.74 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.904 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -165.72 25.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.871 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.3 179.32 25.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 73.34 112.419 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 73.32 110.85 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.755 0.312 . . . . 52.31 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.14 147.38 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 74.3 110.906 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -97.4 144.06 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.843 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.12 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 72.03 110.86 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.52 -149.3 48.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 50.43 112.441 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -58.66 -21.12 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 42.55 110.859 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -80.87 -0.7 40.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.853 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 54.42 111.089 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 58.11 30.1 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.892 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 25.9 56.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.831 -0.7 . . . . 74.13 112.46 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.18 140.24 38.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 50.34 111.043 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.95 158.48 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 55.45 110.884 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.77 158.63 31.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.671 0.748 . . . . 64.42 110.842 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -175.52 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.264 . . . . 75.42 112.355 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -79.55 171.52 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.87 12.51 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.835 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.28 160.25 37.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -121.13 135.58 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 61.2 110.886 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t -102.31 109.08 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 55.23 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 137.92 36.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.747 -0.74 . . . . 40.03 112.447 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -45.47 -30.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 73.32 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -83.22 37.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.98 43.38 17.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 54.44 112.549 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -130.67 105.28 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 73.22 110.938 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.72 123.51 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.882 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.49 7.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 40.22 112.525 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 75.04 110.859 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.86 5.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.41 112.525 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -17.47 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 73.04 110.886 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.76 -31.98 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.092 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.96 -17.67 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.908 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.9 m -89.72 -24.77 21.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 71.24 110.945 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.87 163.67 9.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.78 -0.724 . . . . 43.24 112.474 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 111.94 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 74.1 111.091 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.99 -23.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 33.24 112.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -140.04 11.87 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 71.2 110.838 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.9 135.38 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.26 -51.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.6 157.41 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.824 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 53.01 47.4 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 73.43 110.898 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.29 65.14 6.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 75.5 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -165.58 25.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.855 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.04 179.87 26.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 74.34 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.752 0.31 . . . . 71.14 110.91 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 61.32 111.071 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.94 147.4 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.941 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -97.4 144.02 27.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 65.51 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.02 -173.85 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 63.33 110.912 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.19 -149.5 47.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 64.11 112.509 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -58.76 -21.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 73.31 110.804 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.69 -0.92 40.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 53.23 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 54.51 111.094 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 57.85 29.9 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.84 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.54 55.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 71.44 112.454 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.42 139.35 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 71.34 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -99.0 157.78 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 52.44 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.68 158.57 32.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 65.33 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.53 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.711 2.274 . . . . 64.01 112.333 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -79.73 171.59 14.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.877 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.5 8.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.934 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.32 160.13 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 65.45 110.823 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.5 m -120.91 135.55 55.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.2 110.811 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.6 t -102.22 108.93 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 62.11 110.929 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.98 137.89 36.62 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.758 -0.734 . . . . 71.45 112.437 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -45.71 -30.27 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 74.34 110.82 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -83.3 37.69 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.948 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.21 43.49 18.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 73.34 112.48 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.89 105.33 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 74.33 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.3 m -87.74 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 51.11 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.4 7.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.77 -0.729 . . . . 71.52 112.542 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.937 0.398 . . . . 62.44 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.66 5.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 52.22 112.501 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.31 -17.46 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 72.13 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -32.14 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.102 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.78 -17.74 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.874 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.72 -24.79 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 51.44 110.881 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 163.73 9.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 62.53 112.499 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.62 111.78 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 75.53 111.089 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.19 -23.79 0.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 52.33 112.454 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -140.09 11.93 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 75.51 110.886 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.95 135.32 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.29 -51.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 64.44 110.816 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.29 157.6 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.86 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.73 47.46 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 73.45 110.922 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.26 65.23 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -165.48 25.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.86 -179.71 25.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.778 . . . . 63.42 112.562 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 71.51 110.884 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.72 0.295 . . . . 63.44 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.93 147.34 46.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 72.54 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -97.36 144.07 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.865 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.15 -173.93 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.877 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.4 -149.24 48.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 51.2 112.532 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.76 -21.03 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 71.03 110.836 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -80.84 -0.68 39.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.939 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.06 34.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 51.24 111.11 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.13 30.05 18.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.84 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 25.8 56.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 33.34 112.509 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.54 39.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 73.23 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 158.31 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.69 158.6 31.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 75.33 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -175.4 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 62.24 112.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -79.68 171.49 15.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 34.01 110.925 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.4 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 61.45 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.29 160.12 38.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 64.21 110.915 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -121.06 135.5 55.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.14 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.2 109.26 20.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 53.13 110.829 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 137.96 35.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 73.05 112.503 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -45.55 -30.49 1.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.765 0.317 . . . . 74.31 110.882 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.16 37.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.34 110.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.06 43.44 17.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 41.12 112.523 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -130.74 105.25 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 71.34 110.865 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.7 123.49 32.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.902 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.45 7.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 75.11 112.462 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.81 -174.65 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 65.45 110.866 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.36 158.82 5.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 71.43 112.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -17.28 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 74.42 110.85 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.33 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.01 111.105 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -118.71 -17.68 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 63.21 110.936 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.69 -24.84 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.01 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.84 163.8 9.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.758 . . . . 73.45 112.438 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.71 112.06 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 75.34 111.129 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.79 -23.66 0.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.5 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 t -140.1 11.85 2.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 71.21 110.876 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.81 135.26 33.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -129.3 -51.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -124.58 157.69 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.03 110.841 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 52.81 47.26 25.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.5 m -81.21 65.2 6.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 70.1 110.906 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -165.56 25.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.31 179.96 27.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 60.41 112.46 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 73.35 110.835 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.718 0.294 . . . . 54.42 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.01 147.34 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.9 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -97.19 143.95 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.936 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.16 -174.0 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.86 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.85 48.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 42.41 112.5 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -21.03 54.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.742 0.306 . . . . 71.34 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -80.8 -0.84 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.25 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.02 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.11 111.118 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.92 29.96 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.13 26.26 55.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 72.41 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.3 137.75 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 73.24 111.066 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 158.04 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 70.53 110.851 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.86 158.66 31.91 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.648 0.737 . . . . 55.4 110.879 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 74.44 112.303 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -79.7 171.24 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.44 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.79 12.72 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.891 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.14 159.86 38.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 73.1 110.913 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.36 135.71 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 65.31 110.937 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.85 110.26 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.26 138.17 34.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 61.42 112.514 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -45.18 -30.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 71.24 110.936 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -83.19 38.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.935 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.85 43.55 16.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 44.53 112.536 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -130.49 105.09 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 64.32 110.854 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.49 123.63 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.3 -158.64 8.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 42.11 112.504 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.51 -174.56 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 64.32 110.815 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.09 158.93 4.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 44.33 112.547 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -63.29 -17.38 62.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 61.14 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.41 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 64.43 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -118.88 -17.76 9.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 73.15 110.967 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.72 -24.83 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 73.5 110.906 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.74 163.27 10.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 72.44 112.543 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.47 110.38 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 54.54 111.118 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.61 -23.48 0.42 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 75.35 112.474 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -139.96 11.75 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 74.41 110.891 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 t -89.8 135.95 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.86 -49.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 71.2 110.896 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.96 158.66 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.848 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 51.82 45.37 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.937 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.68 66.1 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 65.41 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -165.55 25.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.937 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 179.06 33.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.732 -0.747 . . . . 51.54 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.11 110.85 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.761 0.315 . . . . 52.14 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.78 147.36 46.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -97.28 143.98 27.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.16 -174.08 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.847 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.54 -149.84 48.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 74.13 112.497 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.65 -21.15 53.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.747 0.308 . . . . 74.13 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.66 -0.84 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.968 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.95 35.09 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 55.13 111.046 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.97 29.89 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.915 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 26.29 55.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 34.11 112.471 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.05 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 75.22 111.032 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -99.57 157.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.895 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.79 158.5 32.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 74.01 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 -175.43 1.13 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.708 2.272 . . . . 63.24 112.356 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -79.64 171.4 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.931 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.7 12.79 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 53.5 110.828 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.2 159.85 38.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 60.41 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.22 135.76 55.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 44.41 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.04 109.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.88 138.22 34.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 72.52 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -45.36 -30.83 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 73.3 110.918 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -83.13 37.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.92 43.48 16.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 65.1 112.523 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -130.52 105.26 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 72.34 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.7 m -87.71 123.58 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 53.04 110.857 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.34 7.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 60.24 112.493 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.947 0.404 . . . . 71.53 110.804 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.35 158.84 5.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 34.52 112.479 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -17.34 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 61.25 110.825 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.14 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.114 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -118.82 -17.72 9.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.977 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.74 -24.81 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 75.55 110.912 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.89 163.61 10.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 35.01 112.501 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.89 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 74.12 111.116 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.12 -23.54 0.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.499 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 t -140.07 11.97 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.955 0.407 . . . . 41.51 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.9 135.64 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 74.31 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.15 -49.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.52 110.92 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.5 157.76 36.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.821 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.28 46.94 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.874 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.9 m -80.89 65.39 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 72.31 110.924 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.42 25.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.41 -179.03 30.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 51.01 112.445 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 51.23 110.907 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.725 0.298 . . . . 54.52 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.04 147.33 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 70.21 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -97.26 143.98 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.16 -174.11 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.84 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.7 -149.75 48.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.485 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.82 -21.03 55.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 72.34 110.824 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -80.77 -0.74 39.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 73.05 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.98 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.134 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 57.98 30.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.858 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 26.06 56.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 35.02 112.526 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 74.12 111.112 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -98.99 158.05 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.845 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.85 158.55 32.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.721 0.772 . . . . 63.44 110.836 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.702 2.268 . . . . 61.43 112.306 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.63 171.27 15.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.78 12.79 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.843 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.15 159.87 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.36 135.67 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.895 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.91 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.32 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 138.27 34.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.763 -0.732 . . . . 71.15 112.427 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -45.33 -30.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.45 110.868 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -83.09 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.903 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.47 16.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.689 -0.767 . . . . 72.22 112.538 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -130.52 105.23 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 75.23 110.835 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.8 m -87.73 123.58 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.14 -158.38 7.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 61.12 112.493 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.57 3.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 74.34 110.856 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.34 158.86 5.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 45.33 112.494 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.54 -17.23 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 73.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.123 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 73.24 110.916 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.85 -24.81 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.809 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.9 163.51 10.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 71.44 112.432 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 110.79 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 72.25 111.124 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.29 -23.57 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.764 . . . . 44.51 112.493 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -140.08 11.88 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 71.43 110.845 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.88 135.75 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.862 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.24 -49.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.35 157.44 36.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.92 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.54 47.1 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.957 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.27 65.28 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 43.23 110.897 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -165.5 25.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.7 -178.35 29.8 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.784 -0.722 . . . . 74.31 112.468 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 73.44 110.914 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.695 0.283 . . . . 74.32 111.119 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.06 147.38 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.15 110.929 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -97.36 143.98 27.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 64.45 110.813 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.1 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 65.34 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.58 -150.06 48.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 61.43 112.497 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.71 -21.13 54.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 72.01 110.826 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -80.66 -0.89 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 62.35 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 60.41 111.153 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.81 29.91 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.841 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.4 55.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 71.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 138.44 38.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 53.02 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -98.16 157.61 16.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 61.52 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.82 158.58 32.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.743 . . . . 52.13 110.855 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -175.49 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 74.22 112.326 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -79.59 171.42 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 42.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.9 t 65.64 12.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 23.4 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.14 159.78 39.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 52.34 110.956 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -121.24 135.66 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.948 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -101.75 109.9 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 70.05 110.954 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 138.23 34.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 42.24 112.484 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 73.23 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -83.07 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.936 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.81 43.57 16.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 44.25 112.527 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -130.6 105.18 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 70.34 110.866 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.59 123.58 32.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.16 -158.31 7.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 63.12 112.465 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.9 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 63.45 110.869 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.81 5.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 34.54 112.47 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -63.38 -17.32 62.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 62.14 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.16 71.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 62.41 111.069 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.925 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -24.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.66 10.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.666 -0.778 . . . . 62.21 112.439 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 111.09 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 73.24 111.063 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.08 -23.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 70.3 112.51 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.17 11.92 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 62.34 110.846 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.87 135.64 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 74.51 110.955 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.26 -49.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.2 110.891 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.33 157.87 35.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 54.33 110.801 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.1 47.03 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.877 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.08 65.37 6.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.922 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -165.43 25.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 71.51 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.66 -178.52 29.97 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 54.11 112.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 50.33 110.865 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.735 0.302 . . . . 51.41 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.98 147.43 46.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.34 110.942 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -97.35 144.06 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.25 -174.06 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.834 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.48 -150.01 47.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 74.34 112.485 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -21.07 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 72.04 110.855 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -80.76 -0.88 40.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.933 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.03 35.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.151 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 57.93 29.81 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 74.04 110.815 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.03 26.58 55.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.1 139.03 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 75.15 111.08 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -98.67 157.53 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.4 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.52 32.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.678 0.751 . . . . 75.35 110.876 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.46 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.73 2.287 . . . . 73.1 112.281 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -79.67 171.33 15.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.846 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.77 12.75 8.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 45.11 110.816 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.18 159.75 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.15 135.74 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.929 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -101.84 109.89 21.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 62.14 110.861 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 138.18 34.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.847 -0.692 . . . . 52.31 112.478 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -45.36 -30.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 70.2 110.913 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -83.2 37.92 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.937 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.94 43.53 17.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 73.2 112.469 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -130.51 105.25 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 75.13 110.9 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.68 123.57 32.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.866 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.27 7.88 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 32.24 112.445 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.93 -174.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 64.31 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.4 158.85 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 72.43 112.441 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -17.37 62.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 63.12 110.874 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.19 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 63.13 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.82 -17.73 9.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.1 110.927 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.81 -24.87 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.52 10.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 73.13 112.474 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.48 110.88 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 71.42 111.179 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.16 -23.57 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 64.43 112.471 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -140.04 11.84 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 72.41 110.827 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -89.9 135.72 33.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.33 -49.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.43 157.93 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 63.52 110.829 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 52.09 46.73 26.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.13 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.68 65.44 5.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.919 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -165.37 25.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.48 -178.85 30.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 74.21 112.47 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 73.45 110.844 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.774 0.321 . . . . 74.52 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.2 147.37 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.843 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -97.35 143.9 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.17 -174.32 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 62.34 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.52 -149.04 51.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 51.44 112.455 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.75 -21.43 55.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 71.15 110.818 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.52 -1.2 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 61.04 110.932 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.69 34.19 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.144 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.98 30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.898 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 24.23 59.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 55.13 112.505 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 139.78 39.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 73.02 111.153 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -99.81 160.04 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.957 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -105.65 158.75 31.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 72.11 110.881 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.356 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -78.68 171.25 15.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.892 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.33 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 42.54 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.34 160.11 38.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.873 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -121.76 135.49 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.902 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.8 t -102.05 109.41 21.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 34.3 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 138.17 35.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.796 -0.716 . . . . 73.05 112.518 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -30.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 63.02 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -82.98 37.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.21 16.43 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -130.21 105.33 7.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 71.11 110.851 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.6 m -87.8 123.55 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 62.13 110.81 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.23 7.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.677 -0.773 . . . . 54.33 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.89 -174.64 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 62.22 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.21 159.02 5.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 54.54 112.472 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -17.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 64.22 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.35 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.049 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -118.99 -17.44 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.948 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.77 -24.62 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 71.03 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.91 163.39 10.35 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.49 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.59 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 63.33 111.131 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.08 -23.36 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 64.11 112.459 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -139.96 11.82 2.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 73.4 110.882 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.86 135.77 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 71.02 110.916 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.04 -49.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.923 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.96 157.48 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.806 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 53.01 46.67 26.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 63.11 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.45 65.53 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -165.57 25.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.03 110.809 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 178.36 32.32 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.737 -0.744 . . . . 73.25 112.453 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 65.43 110.875 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.697 0.284 . . . . 65.31 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.95 147.33 46.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.871 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -97.43 144.16 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.849 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.12 -174.37 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 63.41 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.8 -149.14 51.56 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 73.5 112.402 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.82 -21.64 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 73.54 110.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.24 -1.38 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.922 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.22 33.98 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.132 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 59.03 30.35 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 73.04 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.06 24.17 60.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.667 -0.778 . . . . 54.43 112.483 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.96 139.99 39.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 75.53 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -100.02 160.14 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.905 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.72 158.73 31.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.728 0.775 . . . . 70.33 110.83 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -175.82 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.674 2.249 . . . . 75.5 112.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -78.84 171.32 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 71.02 110.9 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.09 12.32 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.803 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.55 160.08 38.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.5 m -121.4 135.48 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.876 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.17 108.55 19.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.847 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 138.03 37.33 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.68 -0.772 . . . . 42.35 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.47 -30.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 63.11 110.878 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -83.17 38.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.96 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 24.24 112.498 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -130.33 105.27 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 64.35 110.913 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.5 m -87.7 123.48 32.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 51.15 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.27 -158.38 7.94 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.791 -0.718 . . . . 22.12 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.86 -174.54 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 72.03 110.909 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.78 5.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 63.33 112.499 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.52 -17.49 62.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.758 0.313 . . . . 65.44 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.13 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 42.43 111.068 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -118.88 -17.69 9.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.925 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.74 -24.59 21.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 70.3 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.86 9.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 72.41 112.539 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.16 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.84 0.352 . . . . 64.34 111.111 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.3 -23.58 0.76 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 72.23 112.473 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.3 t -140.08 11.91 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 74.32 110.797 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 t -89.96 135.48 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -129.01 -51.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.883 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.98 157.02 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.864 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 53.74 47.32 23.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 71.05 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.6 m -80.93 65.26 6.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.85 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 ttm-85 -165.68 25.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.892 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 178.4 27.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 74.34 112.538 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 75.51 110.862 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.732 0.301 . . . . 72.44 111.11 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.99 147.29 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 53.44 110.996 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -97.32 143.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.874 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.14 -174.17 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 51.21 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.32 -149.43 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 75.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -21.58 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 70.51 110.872 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -80.12 -1.59 40.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.958 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.36 34.34 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 58.74 30.27 19.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 60.14 110.826 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.66 59.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 62.4 112.502 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 140.12 39.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 71.5 111.139 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -100.07 159.33 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 63.4 110.909 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.71 158.79 31.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 75.3 110.87 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -175.68 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 55.24 112.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -78.88 171.38 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 62.32 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.9 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.53 159.91 39.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 61.53 110.922 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.57 135.51 55.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.871 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.69 108.82 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.897 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.85 138.16 37.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 60.12 112.524 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -45.39 -30.6 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.309 . . . . 75.11 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -83.1 37.83 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 63.24 110.946 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.29 16.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 52.52 112.488 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -130.41 105.43 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 71.02 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.64 123.55 32.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.22 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.35 7.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 54.02 112.505 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.74 -174.55 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 73.53 110.855 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.06 159.0 4.94 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.725 -0.75 . . . . 74.13 112.476 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.36 -17.18 62.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 73.31 110.882 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.42 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 72.51 111.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.89 -17.57 9.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 71.15 110.888 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.85 -24.79 21.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 65.03 110.816 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.49 10.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.749 -0.739 . . . . 71.45 112.567 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.13 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.768 0.318 . . . . 74.25 111.098 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.35 -23.45 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.662 -0.78 . . . . 72.42 112.498 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -140.03 11.81 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 71.01 110.843 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 t -89.91 135.61 33.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.85 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.17 -50.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 71.31 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.83 156.24 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 55.31 110.848 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 54.56 47.28 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 61.13 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.3 m -81.12 65.09 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 54.03 110.91 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -165.75 25.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.872 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.75 -179.96 29.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 50.32 112.448 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 75.12 110.88 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.423 ' HB1' ' NH2' ' A' ' 3' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.748 0.309 . . . . 63.23 111.073 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.68 147.39 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.922 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.423 ' NH2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -97.26 144.22 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.895 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 3.9 p -141.21 -174.35 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 62.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.15 -149.33 51.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.721 . . . . 72.1 112.475 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -21.73 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 75.12 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.06 -1.69 41.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.82 33.89 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 65.54 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.3 30.47 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.917 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.51 61.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.712 -0.756 . . . . 62.04 112.487 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.44 139.7 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 72.33 111.083 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -99.98 160.37 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.41 110.957 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.63 158.7 31.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 74.42 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.79 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 42.32 112.361 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -78.69 171.3 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.861 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.53 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.68 160.05 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.6 m -121.65 135.53 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.07 109.28 20.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.46 138.18 35.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 63.44 112.496 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -45.28 -30.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 51.31 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -83.18 37.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 63.12 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 64.51 112.465 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -130.12 105.11 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 74.04 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.69 123.49 32.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 74.22 110.849 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.37 -158.5 8.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.699 -0.762 . . . . 51.54 112.42 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.55 -174.51 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 42.01 110.876 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.95 158.87 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.706 -0.759 . . . . 41.34 112.523 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -17.34 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 52.5 110.879 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -32.64 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 62.15 111.069 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.92 -17.44 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.54 110.922 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -24.39 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.899 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.83 163.17 10.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 73.45 112.437 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.51 112.24 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 62.22 111.129 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.08 -23.0 0.59 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 40.4 112.504 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -140.03 11.8 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 52.44 110.884 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.0 t -89.79 135.83 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 51.33 110.896 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.97 -49.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.921 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.93 157.4 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.862 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 53.05 46.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.941 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.53 65.53 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.893 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -165.61 25.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.27 178.13 31.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 45.53 112.502 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 72.14 110.915 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 35.11 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.36 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.9 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -97.22 143.77 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 52.24 110.824 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.3 -173.82 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 40.32 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.85 -148.6 50.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 62.2 112.522 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.75 -20.96 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 71.03 110.833 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -81.31 -0.22 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.08 34.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 70.54 111.086 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.93 30.72 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.53 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 23.87 60.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 65.13 112.471 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.01 132.09 36.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 71.22 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -93.88 161.38 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.843 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.73 158.59 32.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 74.05 110.902 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 72.14 112.416 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.3 171.44 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.895 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.92 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.52 110.915 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.22 160.05 39.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 74.35 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.2 m -121.61 135.48 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.941 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -102.38 108.7 20.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 138.17 36.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 71.02 112.468 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -45.32 -30.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 73.23 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -83.06 38.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 61.15 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.69 42.99 15.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 74.03 112.528 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -129.69 105.06 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.32 110.911 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 m -87.95 123.6 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.76 8.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 62.03 112.519 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.98 -174.58 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 74.22 110.81 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 159.32 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.511 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -16.95 61.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.785 0.326 . . . . 61.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.55 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 41.51 111.07 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -118.67 -17.96 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 71.14 110.935 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -25.07 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 75.04 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 163.98 9.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.64 -0.791 . . . . 70.53 112.532 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.2 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 64.11 111.117 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.79 -25.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.753 . . . . 64.23 112.478 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -140.12 12.05 2.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.936 0.398 . . . . 64.13 110.855 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.86 134.19 34.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.31 110.924 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.22 -52.93 1.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.48 156.26 42.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.883 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.02 45.21 18.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 41.43 110.932 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.9 m -80.45 65.52 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 62.33 110.889 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.69 25.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.857 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.77 179.19 23.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.781 -0.723 . . . . 51.34 112.514 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 61.23 110.82 -179.864 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.695 0.283 . . . . 73.13 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -137.39 147.31 45.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.881 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -97.17 143.73 27.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.853 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.23 -173.84 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 63.52 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.86 -148.29 50.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.719 . . . . 35.13 112.433 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.64 -20.91 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 62.13 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.49 -0.07 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.11 34.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.069 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.48 30.78 20.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.883 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.18 22.89 62.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 74.43 112.519 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.92 136.5 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 54.33 111.132 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -97.85 161.53 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.62 31.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.63 0.729 . . . . 74.02 110.933 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -175.23 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 73.15 112.312 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -78.43 171.41 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 54.4 110.82 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.19 11.94 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -134.14 160.14 38.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 64.44 110.905 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.69 135.57 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -102.63 108.83 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.1 138.16 36.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 63.54 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -30.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 64.41 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -82.96 37.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 51.23 110.956 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 42.93 15.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 61.11 112.479 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -129.72 105.12 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 62.1 110.94 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.93 123.6 32.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 60.04 110.849 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.82 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.695 -0.764 . . . . 63.3 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.91 -174.53 3.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 73.22 110.832 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.62 159.39 4.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 62.04 112.486 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.41 -16.9 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.762 0.315 . . . . 54.2 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.8 -32.54 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -118.62 -17.95 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.899 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.92 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.843 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.95 9.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 63.2 112.482 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 110.41 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 53.5 111.063 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.6 -25.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.421 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -140.1 11.92 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 73.23 110.858 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.1 t -89.9 134.04 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.1 -52.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.34 110.934 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.49 156.22 42.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 53.11 110.871 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 58.1 45.24 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 52.53 110.89 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 80.9 m -80.47 65.53 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.939 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -165.73 25.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 72.33 110.869 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 179.05 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 33.15 112.494 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 72.41 110.886 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.672 0.272 . . . . 65.31 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 147.3 46.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -97.21 143.63 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.44 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.23 -174.26 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 42.43 110.889 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -149.3 51.05 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.749 -0.738 . . . . 34.15 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -58.71 -21.14 54.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 62.04 110.833 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -81.07 -0.42 39.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.963 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.01 34.56 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 71.14 111.134 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 58.24 30.25 19.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 64.24 110.795 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 25.6 57.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 74.43 112.457 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.47 131.99 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 33.02 111.06 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -93.13 159.94 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.888 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.84 158.53 32.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 52.43 110.848 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.29 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 42.23 112.406 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -78.58 171.5 15.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 71.03 110.883 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.94 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.19 159.5 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 72.21 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -121.71 135.53 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.84 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 107.87 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 51.15 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 138.36 39.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 40.11 112.484 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -31.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 72.03 110.829 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.7 38.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 73.41 110.904 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.28 14.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.737 . . . . 54.33 112.5 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -130.19 105.75 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 63.22 110.899 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.94 123.47 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 53.4 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 -158.66 8.05 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 62.25 112.518 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.67 -174.63 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 53.41 110.859 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.7 159.32 4.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 72.3 112.484 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -16.72 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 74.03 110.905 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.64 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.52 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.73 -18.1 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.965 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -25.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 75.45 110.927 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.94 9.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 42.22 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 111.87 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 50.3 111.118 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.02 -24.76 0.55 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 74.32 112.531 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -140.06 11.86 2.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 60.55 110.871 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.8 134.73 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.82 -52.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 63.33 110.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.23 156.28 43.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 58.11 44.81 18.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.879 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.6 m -79.85 65.92 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -165.75 25.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.36 179.15 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 55.23 112.431 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 74.42 110.898 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.762 0.315 . . . . 44.3 111.082 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.33 147.33 45.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.83 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -97.25 143.67 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 64.34 110.893 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.26 -174.28 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 63.52 110.916 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.46 -148.83 51.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 44.14 112.464 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.74 -20.97 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 71.12 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.37 -0.12 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.899 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.05 34.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.142 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 30.46 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 24.24 60.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.848 -0.692 . . . . 61.21 112.456 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 136.96 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 74.42 111.112 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -97.62 160.25 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.91 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.77 158.54 32.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 75.35 110.895 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 71.44 112.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -78.42 171.39 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.907 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 12.01 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 63.53 110.867 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.24 159.48 40.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.938 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.73 135.53 54.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.894 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.3 t -101.27 108.08 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 34.31 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.2 138.38 38.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.804 -0.712 . . . . 53.14 112.432 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -31.06 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 71.13 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -82.71 38.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 64.44 110.956 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.48 43.26 14.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 75.23 112.458 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -130.09 105.69 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.374 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 m -87.87 123.6 32.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.34 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.23 -158.81 8.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 73.1 112.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.61 -174.64 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 71.34 110.827 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.64 159.25 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 51.51 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.21 -16.71 61.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.365 . . . . 54.15 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.65 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.04 111.107 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -118.7 -18.15 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 60.13 110.864 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.9 -24.98 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 54.32 110.849 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.88 163.95 9.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.496 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 111.89 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 64.22 111.061 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.05 -24.81 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 50.21 112.412 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.08 11.97 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 63.51 110.904 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -89.87 134.74 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 64.14 110.854 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.79 -52.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 75.43 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.17 156.3 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 54.02 110.867 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 58.09 44.87 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.903 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.5 m -79.91 65.9 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.839 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.73 25.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.866 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 179.23 25.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.68 -0.771 . . . . 63.14 112.56 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 74.43 110.938 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 74.04 111.074 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.1 147.29 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 61.15 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.24 143.7 27.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.22 -174.22 3.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 63.44 110.93 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.2 -149.03 51.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.658 -0.782 . . . . 74.31 112.539 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.66 -21.07 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 74.14 110.871 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -81.2 -0.33 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 52.32 110.881 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.07 34.52 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 53.14 111.066 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 58.68 30.19 19.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.17 24.84 58.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 71.42 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 135.15 37.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 43.52 111.179 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -95.98 160.03 14.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 64.41 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.7 158.56 32.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 63.32 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -175.2 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 44.43 112.299 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.65 171.44 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.873 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.92 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 63.31 110.875 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.06 159.42 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 70.12 110.954 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.2 m -121.65 135.61 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.33 108.05 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.816 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 138.41 38.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 55.22 112.514 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -45.19 -31.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 63.53 110.87 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -82.73 38.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.899 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.46 43.19 14.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 50.21 112.496 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -130.11 105.75 8.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 75.1 110.831 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.92 123.6 32.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 72.1 110.866 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.78 8.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 64.11 112.495 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.6 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 65.22 110.855 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.59 159.35 4.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 74.14 112.544 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.28 -16.73 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 74.24 110.816 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.71 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 71.14 111.171 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.73 -18.09 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.21 110.915 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.84 -25.02 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.85 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.8 163.86 9.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 65.34 112.587 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.53 111.78 16.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 60.45 111.123 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.07 -24.67 0.54 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 70.14 112.504 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 t -140.19 12.0 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 71.45 110.883 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 t -89.9 134.65 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.882 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 -52.96 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.07 156.34 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 44.13 110.846 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.13 44.85 18.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.2 m -79.89 65.87 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.878 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.68 25.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.11 179.17 24.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 63.24 112.506 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 71.42 110.908 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.748 0.309 . . . . 63.2 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.32 147.3 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.947 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -97.32 143.68 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.785 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.24 -174.29 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 65.31 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.36 -149.14 51.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 73.11 112.436 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.68 -21.02 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 65.24 110.854 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -81.24 -0.24 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.949 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 34.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.7 30.24 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.855 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.93 58.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 65.23 112.459 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.54 135.44 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 31.44 111.092 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -96.18 159.85 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.843 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 m -105.72 158.53 32.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 71.32 110.887 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -175.2 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.669 2.246 . . . . 73.23 112.326 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -78.63 171.53 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.836 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.1 12.0 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.16 159.6 40.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.943 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.82 135.55 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.856 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 108.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.934 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.29 138.35 38.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 65.13 112.486 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -45.17 -30.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.702 0.287 . . . . 64.43 110.877 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -82.76 38.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 71.54 110.851 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.25 14.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 72.34 112.466 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -130.22 105.92 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 61.44 110.878 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -88.02 123.56 32.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.88 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.25 -158.84 8.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 62.22 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.4 -174.66 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 60.23 110.805 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.77 159.23 4.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 71.4 112.496 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -63.22 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 64.23 110.864 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.77 72.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 62.34 111.098 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -118.72 -18.01 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 65.31 110.936 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.88 -25.09 21.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.893 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.97 163.91 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 65.33 112.488 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.5 15.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 63.24 111.037 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.33 -24.7 0.52 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.759 . . . . 54.32 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -140.13 12.1 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 74.41 110.829 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.91 134.75 34.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.903 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.92 -52.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.911 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.18 156.33 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.806 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 58.06 44.72 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 74.14 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m -79.79 66.06 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.899 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.76 25.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 70.41 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.63 179.5 26.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 55.31 112.457 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.304 . . . . 61.31 110.878 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.714 0.293 . . . . 41.21 111.14 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.35 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.912 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.21 143.68 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.849 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.34 -173.95 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 72.14 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.73 -150.62 51.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 51.23 112.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.68 -20.6 49.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.723 0.297 . . . . 70.21 110.866 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.58 0.17 39.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.11 110.943 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.89 33.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 71.3 111.097 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 61.48 28.9 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.56 65.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 71.15 112.509 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 128.84 34.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 71.24 111.073 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -90.73 163.34 14.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 72.5 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.77 158.65 31.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 64.03 110.875 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.29 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 75.42 112.334 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.07 171.47 14.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.99 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 73.42 110.895 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -134.5 160.36 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.95 135.34 54.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.922 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -102.64 108.44 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 52.41 110.877 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.77 138.14 37.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 73.45 112.454 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -45.23 -30.75 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 74.12 110.928 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -82.95 38.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 65.1 110.944 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.75 42.73 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 75.12 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -129.45 105.11 7.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.891 0.377 . . . . 72.51 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.95 123.64 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.87 8.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.832 -0.699 . . . . 74.12 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.95 -174.62 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 42.01 110.843 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.78 159.35 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 32.04 112.533 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.31 -17.09 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 73.23 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 35.04 111.119 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.7 -17.71 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.938 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.93 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.89 9.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.7 -0.762 . . . . 34.34 112.525 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.7 110.74 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 64.23 111.092 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.96 -25.31 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 74.11 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -140.08 11.94 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 74.4 110.853 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.6 t -89.95 134.39 34.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.921 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -124.22 -52.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.935 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.68 155.72 43.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.825 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 58.19 46.31 16.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 64.13 110.949 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.7 m -81.16 65.23 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 62.11 110.867 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -165.67 25.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.882 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.29 178.96 21.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.735 . . . . 61.41 112.476 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 64.04 110.886 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.727 0.298 . . . . 71.0 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 147.35 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 73.34 110.868 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -97.26 144.79 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.912 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 p -141.57 -174.37 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.45 -148.16 51.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 51.22 112.517 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.72 -20.97 53.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 73.31 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -81.69 0.13 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 33.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 61.23 111.119 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.32 30.48 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.01 110.874 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.61 60.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 74.01 112.482 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.68 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 71.31 111.077 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -98.27 160.81 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.72 158.52 32.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 52.41 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -175.26 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.645 2.23 . . . . 72.02 112.341 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.44 171.43 15.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.14 11.97 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 61.21 110.858 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -134.16 159.33 41.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.93 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -121.46 135.49 55.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.929 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.53 108.18 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 138.33 38.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.553 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -45.0 -31.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.352 . . . . 71.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.87 38.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.35 14.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.11 112.487 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -129.81 105.21 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.958 0.409 . . . . 62.43 110.867 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 m -88.03 123.42 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.63 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 52.53 112.539 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.65 3.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 60.31 110.803 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.49 159.14 4.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 30.11 112.474 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -16.87 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 60.21 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.49 -32.71 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 62.32 111.091 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -118.89 -17.8 9.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.894 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.81 -24.82 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.807 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.77 163.86 9.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 74.02 112.547 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.56 113.72 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 74.45 111.093 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.97 -24.45 0.71 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.777 . . . . 24.31 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 12.14 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 70.15 110.842 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.86 134.78 34.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 62.14 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.03 -52.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.859 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.19 156.02 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.51 110.889 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 58.19 45.08 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.878 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.8 m -80.06 65.74 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.904 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -165.72 25.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 54.01 110.871 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.3 179.32 25.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 40.25 112.419 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 73.32 110.85 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.755 0.312 . . . . 52.31 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.14 147.38 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 74.3 110.906 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -97.4 144.06 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.843 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.12 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 72.03 110.86 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.52 -149.3 48.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 50.43 112.441 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -58.66 -21.12 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 42.55 110.859 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -80.87 -0.7 40.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.853 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 54.42 111.089 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 58.11 30.1 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.892 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 25.9 56.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.831 -0.7 . . . . 74.13 112.46 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.18 140.24 38.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 50.34 111.043 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.95 158.48 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 55.45 110.884 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.77 158.63 31.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.671 0.748 . . . . 64.42 110.842 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -175.52 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.264 . . . . 75.42 112.355 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -79.55 171.52 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.87 12.51 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.835 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.28 160.25 37.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -121.13 135.58 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 61.2 110.886 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t -102.31 109.08 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 55.23 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 137.92 36.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.747 -0.74 . . . . 40.03 112.447 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -45.47 -30.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 73.32 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -83.22 37.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.98 43.38 17.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 54.44 112.549 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -130.67 105.28 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 73.22 110.938 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.72 123.51 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.882 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.49 7.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 40.22 112.525 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 75.04 110.859 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.86 5.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.41 112.525 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -17.47 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 73.04 110.886 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.76 -31.98 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.092 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.96 -17.67 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.908 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.9 m -89.72 -24.77 21.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 71.24 110.945 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.87 163.67 9.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.78 -0.724 . . . . 43.24 112.474 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 111.94 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 74.1 111.091 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.99 -23.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 33.24 112.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -140.04 11.87 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 71.2 110.838 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.9 135.38 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.26 -51.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.6 157.41 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.824 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 53.01 47.4 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 73.43 110.898 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.29 65.14 6.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 75.5 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -165.58 25.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.855 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.04 179.87 26.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 74.34 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.752 0.31 . . . . 71.14 110.91 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 61.32 111.071 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.94 147.4 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.941 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -97.4 144.02 27.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 65.51 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.02 -173.85 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 63.33 110.912 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.19 -149.5 47.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 64.11 112.509 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -58.76 -21.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 73.31 110.804 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.69 -0.92 40.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 53.23 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 54.51 111.094 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 57.85 29.9 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.84 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.54 55.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 71.44 112.454 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.42 139.35 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 71.34 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -99.0 157.78 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 52.44 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.68 158.57 32.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 65.33 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.53 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.711 2.274 . . . . 64.01 112.333 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -79.73 171.59 14.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.877 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.5 8.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.934 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.32 160.13 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 65.45 110.823 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.5 m -120.91 135.55 55.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.2 110.811 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.6 t -102.22 108.93 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 62.11 110.929 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.98 137.89 36.62 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.758 -0.734 . . . . 71.45 112.437 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -45.71 -30.27 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 74.34 110.82 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -83.3 37.69 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.948 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.21 43.49 18.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 73.34 112.48 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.89 105.33 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 74.33 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.3 m -87.74 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 51.11 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.4 7.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.77 -0.729 . . . . 71.52 112.542 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.937 0.398 . . . . 62.44 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.66 5.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 52.22 112.501 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.31 -17.46 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 72.13 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -32.14 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.102 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.78 -17.74 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.874 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.72 -24.79 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 51.44 110.881 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 163.73 9.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 62.53 112.499 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.62 111.78 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 75.53 111.089 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.19 -23.79 0.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 52.33 112.454 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -140.09 11.93 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 75.51 110.886 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.95 135.32 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.29 -51.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 64.44 110.816 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.29 157.6 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.86 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.73 47.46 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 73.45 110.922 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.26 65.23 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -165.48 25.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.86 -179.71 25.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.778 . . . . 63.42 112.562 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 71.51 110.884 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.72 0.295 . . . . 63.44 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.93 147.34 46.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 72.54 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -97.36 144.07 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.865 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.15 -173.93 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.877 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.4 -149.24 48.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 51.2 112.532 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.76 -21.03 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 71.03 110.836 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -80.84 -0.68 39.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.939 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.06 34.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 51.24 111.11 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.13 30.05 18.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.84 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 25.8 56.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 33.34 112.509 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.54 39.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 73.23 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 158.31 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.69 158.6 31.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 75.33 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -175.4 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 62.24 112.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -79.68 171.49 15.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 34.01 110.925 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.4 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 61.45 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.29 160.12 38.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 64.21 110.915 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -121.06 135.5 55.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.14 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.2 109.26 20.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 53.13 110.829 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 137.96 35.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 73.05 112.503 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -45.55 -30.49 1.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.765 0.317 . . . . 74.31 110.882 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.16 37.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.34 110.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.06 43.44 17.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 41.12 112.523 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -130.74 105.25 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 71.34 110.865 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.7 123.49 32.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.902 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.45 7.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 75.11 112.462 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.81 -174.65 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 65.45 110.866 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.36 158.82 5.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 71.43 112.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -17.28 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 74.42 110.85 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.33 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.01 111.105 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -118.71 -17.68 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 63.21 110.936 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.69 -24.84 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.01 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.84 163.8 9.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.758 . . . . 73.45 112.438 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.71 112.06 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 75.34 111.129 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.79 -23.66 0.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.5 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 t -140.1 11.85 2.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 71.21 110.876 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.81 135.26 33.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -129.3 -51.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -124.58 157.69 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.03 110.841 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 52.81 47.26 25.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.5 m -81.21 65.2 6.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 70.1 110.906 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -165.56 25.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.31 179.96 27.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 60.41 112.46 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 73.35 110.835 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.718 0.294 . . . . 54.42 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.01 147.34 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.9 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -97.19 143.95 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.936 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.16 -174.0 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.86 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.85 48.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 42.41 112.5 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -21.03 54.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.742 0.306 . . . . 71.34 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -80.8 -0.84 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.25 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.02 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.11 111.118 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.92 29.96 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.13 26.26 55.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 72.41 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.3 137.75 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 73.24 111.066 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 158.04 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 70.53 110.851 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.86 158.66 31.91 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.648 0.737 . . . . 55.4 110.879 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 74.44 112.303 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -79.7 171.24 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.44 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.79 12.72 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.891 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.14 159.86 38.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 73.1 110.913 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.36 135.71 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 65.31 110.937 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.85 110.26 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.26 138.17 34.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 61.42 112.514 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -45.18 -30.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 71.24 110.936 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -83.19 38.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.935 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.85 43.55 16.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 44.53 112.536 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -130.49 105.09 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 64.32 110.854 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.49 123.63 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.3 -158.64 8.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 42.11 112.504 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.51 -174.56 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 64.32 110.815 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.09 158.93 4.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 44.33 112.547 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -63.29 -17.38 62.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 61.14 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.41 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 64.43 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -118.88 -17.76 9.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 73.15 110.967 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.72 -24.83 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 73.5 110.906 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.74 163.27 10.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 72.44 112.543 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.47 110.38 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 54.54 111.118 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.61 -23.48 0.42 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 75.35 112.474 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -139.96 11.75 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 74.41 110.891 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 t -89.8 135.95 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.86 -49.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 71.2 110.896 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.96 158.66 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.848 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 51.82 45.37 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.937 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.68 66.1 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 65.41 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -165.55 25.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.937 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 179.06 33.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.732 -0.747 . . . . 51.54 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.11 110.85 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.761 0.315 . . . . 52.14 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.78 147.36 46.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -97.28 143.98 27.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.16 -174.08 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.847 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.54 -149.84 48.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 74.13 112.497 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.65 -21.15 53.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.747 0.308 . . . . 74.13 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.66 -0.84 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.968 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.95 35.09 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 55.13 111.046 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.97 29.89 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.915 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 26.29 55.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 34.11 112.471 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.05 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 75.22 111.032 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -99.57 157.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.895 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.79 158.5 32.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 74.01 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 -175.43 1.13 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.708 2.272 . . . . 63.24 112.356 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -79.64 171.4 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.931 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.7 12.79 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 53.5 110.828 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.2 159.85 38.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 60.41 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.22 135.76 55.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 44.41 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.04 109.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.88 138.22 34.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 72.52 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -45.36 -30.83 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 73.3 110.918 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -83.13 37.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.92 43.48 16.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 65.1 112.523 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -130.52 105.26 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 72.34 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.7 m -87.71 123.58 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 53.04 110.857 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.34 7.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 60.24 112.493 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.947 0.404 . . . . 71.53 110.804 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.35 158.84 5.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 34.52 112.479 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -17.34 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 61.25 110.825 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.14 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.114 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -118.82 -17.72 9.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.977 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.74 -24.81 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 75.55 110.912 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.89 163.61 10.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 35.01 112.501 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.89 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 74.12 111.116 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.12 -23.54 0.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.499 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 t -140.07 11.97 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.955 0.407 . . . . 41.51 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.9 135.64 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 74.31 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.15 -49.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.52 110.92 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.5 157.76 36.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.821 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.28 46.94 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.874 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.9 m -80.89 65.39 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 72.31 110.924 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.42 25.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.41 -179.03 30.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 51.01 112.445 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 51.23 110.907 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.725 0.298 . . . . 54.52 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.04 147.33 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 70.21 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -97.26 143.98 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.16 -174.11 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.84 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.7 -149.75 48.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.485 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.82 -21.03 55.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 72.34 110.824 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -80.77 -0.74 39.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 73.05 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.98 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.134 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 57.98 30.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.858 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 26.06 56.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 35.02 112.526 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 74.12 111.112 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -98.99 158.05 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.845 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.85 158.55 32.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.721 0.772 . . . . 63.44 110.836 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.702 2.268 . . . . 61.43 112.306 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.63 171.27 15.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.78 12.79 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.843 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.15 159.87 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.36 135.67 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.895 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.91 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.32 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 138.27 34.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.763 -0.732 . . . . 71.15 112.427 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -45.33 -30.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.45 110.868 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -83.09 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.903 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.47 16.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.689 -0.767 . . . . 72.22 112.538 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -130.52 105.23 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 75.23 110.835 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.8 m -87.73 123.58 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.14 -158.38 7.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 61.12 112.493 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.57 3.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 74.34 110.856 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.34 158.86 5.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 45.33 112.494 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.54 -17.23 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 73.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.123 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 73.24 110.916 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.85 -24.81 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.809 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.9 163.51 10.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 71.44 112.432 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 110.79 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 72.25 111.124 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.29 -23.57 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.764 . . . . 44.51 112.493 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -140.08 11.88 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 71.43 110.845 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.88 135.75 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.862 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.24 -49.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.35 157.44 36.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.92 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.54 47.1 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.957 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.27 65.28 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 43.23 110.897 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -165.5 25.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.7 -178.35 29.8 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.784 -0.722 . . . . 74.31 112.468 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 73.44 110.914 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.695 0.283 . . . . 74.32 111.119 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.06 147.38 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.15 110.929 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -97.36 143.98 27.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 64.45 110.813 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.1 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 65.34 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.58 -150.06 48.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 61.43 112.497 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.71 -21.13 54.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 72.01 110.826 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -80.66 -0.89 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 62.35 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 60.41 111.153 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.81 29.91 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.841 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.4 55.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 71.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 138.44 38.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 53.02 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -98.16 157.61 16.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 61.52 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.82 158.58 32.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.743 . . . . 52.13 110.855 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -175.49 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 74.22 112.326 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -79.59 171.42 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 42.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.9 t 65.64 12.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 23.4 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.14 159.78 39.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 52.34 110.956 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -121.24 135.66 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.948 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -101.75 109.9 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 70.05 110.954 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 138.23 34.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 42.24 112.484 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 73.23 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -83.07 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.936 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.81 43.57 16.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 44.25 112.527 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -130.6 105.18 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 70.34 110.866 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.59 123.58 32.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.16 -158.31 7.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 63.12 112.465 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.9 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 63.45 110.869 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.81 5.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 34.54 112.47 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -63.38 -17.32 62.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 62.14 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.16 71.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 62.41 111.069 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.925 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -24.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.66 10.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.666 -0.778 . . . . 62.21 112.439 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 111.09 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 73.24 111.063 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.08 -23.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 70.3 112.51 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.17 11.92 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 62.34 110.846 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.87 135.64 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 74.51 110.955 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.26 -49.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.2 110.891 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.33 157.87 35.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 54.33 110.801 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.1 47.03 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.877 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.08 65.37 6.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.922 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -165.43 25.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 71.51 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.66 -178.52 29.97 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 54.11 112.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 50.33 110.865 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.735 0.302 . . . . 51.41 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.98 147.43 46.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.34 110.942 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -97.35 144.06 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.25 -174.06 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.834 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.48 -150.01 47.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 74.34 112.485 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -21.07 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 72.04 110.855 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -80.76 -0.88 40.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.933 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.03 35.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.151 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 57.93 29.81 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 74.04 110.815 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.03 26.58 55.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.1 139.03 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 75.15 111.08 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -98.67 157.53 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.4 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.52 32.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.678 0.751 . . . . 75.35 110.876 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.46 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.73 2.287 . . . . 73.1 112.281 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -79.67 171.33 15.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.846 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.77 12.75 8.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 45.11 110.816 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.18 159.75 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.15 135.74 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.929 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -101.84 109.89 21.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 62.14 110.861 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 138.18 34.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.847 -0.692 . . . . 52.31 112.478 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -45.36 -30.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 70.2 110.913 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -83.2 37.92 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.937 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.94 43.53 17.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 73.2 112.469 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -130.51 105.25 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 75.13 110.9 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.68 123.57 32.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.866 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.27 7.88 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 32.24 112.445 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.93 -174.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 64.31 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.4 158.85 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 72.43 112.441 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -17.37 62.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 63.12 110.874 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.19 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 63.13 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.82 -17.73 9.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.1 110.927 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.81 -24.87 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.52 10.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 73.13 112.474 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.48 110.88 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 71.42 111.179 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.16 -23.57 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 64.43 112.471 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -140.04 11.84 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 72.41 110.827 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -89.9 135.72 33.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.33 -49.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.43 157.93 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 63.52 110.829 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 52.09 46.73 26.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.13 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.68 65.44 5.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.919 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -165.37 25.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.48 -178.85 30.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 74.21 112.47 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 73.45 110.844 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.774 0.321 . . . . 74.52 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.2 147.37 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.843 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -97.35 143.9 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.17 -174.32 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 62.34 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.52 -149.04 51.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 51.44 112.455 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.75 -21.43 55.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 71.15 110.818 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.52 -1.2 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 61.04 110.932 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.69 34.19 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.144 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.98 30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.898 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 24.23 59.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 55.13 112.505 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 139.78 39.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 73.02 111.153 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -99.81 160.04 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.957 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -105.65 158.75 31.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 72.11 110.881 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.356 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -78.68 171.25 15.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.892 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.33 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 42.54 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.34 160.11 38.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.873 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -121.76 135.49 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.902 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.8 t -102.05 109.41 21.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 34.3 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 138.17 35.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.796 -0.716 . . . . 73.05 112.518 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -30.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 63.02 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -82.98 37.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.21 16.43 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -130.21 105.33 7.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 71.11 110.851 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.6 m -87.8 123.55 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 62.13 110.81 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.23 7.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.677 -0.773 . . . . 54.33 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.89 -174.64 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 62.22 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.21 159.02 5.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 54.54 112.472 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -17.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 64.22 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.35 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.049 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -118.99 -17.44 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.948 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.77 -24.62 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 71.03 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.91 163.39 10.35 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.49 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.59 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 63.33 111.131 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.08 -23.36 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 64.11 112.459 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -139.96 11.82 2.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 73.4 110.882 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.86 135.77 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 71.02 110.916 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.04 -49.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.923 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.96 157.48 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.806 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 53.01 46.67 26.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 63.11 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.45 65.53 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -165.57 25.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.03 110.809 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 178.36 32.32 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.737 -0.744 . . . . 73.25 112.453 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 65.43 110.875 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.697 0.284 . . . . 65.31 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.95 147.33 46.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.871 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -97.43 144.16 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.849 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.12 -174.37 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 63.41 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.8 -149.14 51.56 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 73.5 112.402 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.82 -21.64 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 73.54 110.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.24 -1.38 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.922 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.22 33.98 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.132 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 59.03 30.35 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 73.04 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.06 24.17 60.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.667 -0.778 . . . . 54.43 112.483 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.96 139.99 39.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 75.53 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -100.02 160.14 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.905 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.72 158.73 31.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.728 0.775 . . . . 70.33 110.83 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -175.82 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.674 2.249 . . . . 75.5 112.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -78.84 171.32 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 71.02 110.9 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.09 12.32 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.803 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.55 160.08 38.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.5 m -121.4 135.48 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.876 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.17 108.55 19.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.847 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 138.03 37.33 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.68 -0.772 . . . . 42.35 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.47 -30.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 63.11 110.878 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -83.17 38.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.96 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 24.24 112.498 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -130.33 105.27 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 64.35 110.913 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.5 m -87.7 123.48 32.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 51.15 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.27 -158.38 7.94 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.791 -0.718 . . . . 22.12 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.86 -174.54 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 72.03 110.909 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.78 5.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 63.33 112.499 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.52 -17.49 62.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.758 0.313 . . . . 65.44 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.13 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 42.43 111.068 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -118.88 -17.69 9.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.925 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.74 -24.59 21.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 70.3 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.86 9.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 72.41 112.539 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.16 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.84 0.352 . . . . 64.34 111.111 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.3 -23.58 0.76 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 72.23 112.473 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.3 t -140.08 11.91 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 74.32 110.797 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 t -89.96 135.48 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -129.01 -51.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.883 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.98 157.02 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.864 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 53.74 47.32 23.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 71.05 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.6 m -80.93 65.26 6.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.85 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 ttm-85 -165.68 25.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.892 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 178.4 27.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 74.34 112.538 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 75.51 110.862 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.732 0.301 . . . . 72.44 111.11 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.99 147.29 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 53.44 110.996 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -97.32 143.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.874 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.14 -174.17 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 51.21 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.32 -149.43 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 75.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -21.58 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 70.51 110.872 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -80.12 -1.59 40.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.958 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.36 34.34 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 58.74 30.27 19.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 60.14 110.826 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.66 59.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 62.4 112.502 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 140.12 39.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 71.5 111.139 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -100.07 159.33 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 63.4 110.909 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.71 158.79 31.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 75.3 110.87 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -175.68 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 55.24 112.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -78.88 171.38 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 62.32 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.9 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.53 159.91 39.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 61.53 110.922 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.57 135.51 55.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.871 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.69 108.82 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.897 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.85 138.16 37.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 60.12 112.524 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -45.39 -30.6 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.309 . . . . 75.11 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -83.1 37.83 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 63.24 110.946 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.29 16.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 52.52 112.488 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -130.41 105.43 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 71.02 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.64 123.55 32.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.22 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.35 7.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 54.02 112.505 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.74 -174.55 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 73.53 110.855 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.06 159.0 4.94 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.725 -0.75 . . . . 74.13 112.476 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.36 -17.18 62.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 73.31 110.882 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.42 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 72.51 111.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.89 -17.57 9.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 71.15 110.888 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.85 -24.79 21.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 65.03 110.816 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.49 10.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.749 -0.739 . . . . 71.45 112.567 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.13 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.768 0.318 . . . . 74.25 111.098 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.35 -23.45 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.662 -0.78 . . . . 72.42 112.498 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -140.03 11.81 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 71.01 110.843 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 t -89.91 135.61 33.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.85 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.17 -50.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 71.31 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.83 156.24 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 55.31 110.848 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 54.56 47.28 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 61.13 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.3 m -81.12 65.09 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 54.03 110.91 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -165.75 25.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.872 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.75 -179.96 29.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 50.32 112.448 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 75.12 110.88 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' HB1' ' NH2' ' A' ' 3' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.748 0.309 . . . . 63.23 111.073 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.68 147.39 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.922 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.423 ' NH2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -97.26 144.22 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.895 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 3.9 p -141.21 -174.35 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 62.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.15 -149.33 51.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.721 . . . . 72.1 112.475 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -21.73 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 75.12 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.06 -1.69 41.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.82 33.89 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 65.54 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.3 30.47 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.917 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.51 61.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.712 -0.756 . . . . 62.04 112.487 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.44 139.7 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 72.33 111.083 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -99.98 160.37 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.41 110.957 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.63 158.7 31.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 74.42 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.79 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 42.32 112.361 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -78.69 171.3 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.861 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.53 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.68 160.05 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.6 m -121.65 135.53 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.07 109.28 20.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.46 138.18 35.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 63.44 112.496 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -45.28 -30.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 51.31 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -83.18 37.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 63.12 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 64.51 112.465 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -130.12 105.11 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 74.04 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.69 123.49 32.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 74.22 110.849 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.37 -158.5 8.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.699 -0.762 . . . . 51.54 112.42 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.55 -174.51 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 42.01 110.876 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.95 158.87 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.706 -0.759 . . . . 41.34 112.523 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -17.34 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 52.5 110.879 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -32.64 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 62.15 111.069 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.92 -17.44 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.54 110.922 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -24.39 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.899 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.83 163.17 10.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 73.45 112.437 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.51 112.24 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 62.22 111.129 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.08 -23.0 0.59 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 40.4 112.504 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -140.03 11.8 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 52.44 110.884 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.0 t -89.79 135.83 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 51.33 110.896 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.97 -49.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.921 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.93 157.4 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.862 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 53.05 46.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.941 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.53 65.53 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.893 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -165.61 25.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.27 178.13 31.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 45.53 112.502 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 72.14 110.915 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 35.11 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.36 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.9 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -97.22 143.77 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 52.24 110.824 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.3 -173.82 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 40.32 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.85 -148.6 50.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 62.2 112.522 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.75 -20.96 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 71.03 110.833 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -81.31 -0.22 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.08 34.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 70.54 111.086 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.93 30.72 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.53 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 23.87 60.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 65.13 112.471 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.01 132.09 36.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 71.22 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -93.88 161.38 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.843 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.73 158.59 32.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 74.05 110.902 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 72.14 112.416 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.3 171.44 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.895 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.92 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.52 110.915 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.22 160.05 39.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 74.35 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.2 m -121.61 135.48 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.941 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -102.38 108.7 20.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 138.17 36.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 71.02 112.468 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -45.32 -30.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 73.23 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -83.06 38.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 61.15 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.69 42.99 15.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 74.03 112.528 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -129.69 105.06 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.32 110.911 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 m -87.95 123.6 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.76 8.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 62.03 112.519 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.98 -174.58 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 74.22 110.81 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 159.32 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.511 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -16.95 61.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.785 0.326 . . . . 61.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.55 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 41.51 111.07 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -118.67 -17.96 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 71.14 110.935 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -25.07 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 75.04 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 163.98 9.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.64 -0.791 . . . . 70.53 112.532 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.2 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 64.11 111.117 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.79 -25.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.753 . . . . 64.23 112.478 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -140.12 12.05 2.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.936 0.398 . . . . 64.13 110.855 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.86 134.19 34.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.31 110.924 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.22 -52.93 1.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.48 156.26 42.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.883 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.02 45.21 18.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 41.43 110.932 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.9 m -80.45 65.52 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 62.33 110.889 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.69 25.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.857 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.77 179.19 23.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.781 -0.723 . . . . 51.34 112.514 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 61.23 110.82 -179.864 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.695 0.283 . . . . 73.13 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -137.39 147.31 45.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.881 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -97.17 143.73 27.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.853 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.23 -173.84 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 63.52 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.86 -148.29 50.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.719 . . . . 35.13 112.433 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.64 -20.91 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 62.13 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.49 -0.07 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.11 34.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.069 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.48 30.78 20.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.883 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.18 22.89 62.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 74.43 112.519 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.92 136.5 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 54.33 111.132 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -97.85 161.53 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.62 31.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.63 0.729 . . . . 74.02 110.933 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -175.23 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 73.15 112.312 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -78.43 171.41 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 54.4 110.82 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.19 11.94 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -134.14 160.14 38.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 64.44 110.905 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.69 135.57 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -102.63 108.83 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.1 138.16 36.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 63.54 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -30.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 64.41 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -82.96 37.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 51.23 110.956 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 42.93 15.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 61.11 112.479 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -129.72 105.12 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 62.1 110.94 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.93 123.6 32.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 60.04 110.849 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.82 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.695 -0.764 . . . . 63.3 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.91 -174.53 3.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 73.22 110.832 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.62 159.39 4.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 62.04 112.486 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.41 -16.9 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.762 0.315 . . . . 54.2 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.8 -32.54 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -118.62 -17.95 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.899 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.92 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.843 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.95 9.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 63.2 112.482 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 110.41 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 53.5 111.063 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.6 -25.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.421 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -140.1 11.92 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 73.23 110.858 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.1 t -89.9 134.04 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.1 -52.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.34 110.934 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.49 156.22 42.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 53.11 110.871 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 58.1 45.24 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 52.53 110.89 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 80.9 m -80.47 65.53 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.939 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -165.73 25.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 72.33 110.869 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 179.05 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 33.15 112.494 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 72.41 110.886 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.672 0.272 . . . . 65.31 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 147.3 46.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -97.21 143.63 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.44 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.23 -174.26 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 42.43 110.889 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -149.3 51.05 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.749 -0.738 . . . . 34.15 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -58.71 -21.14 54.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 62.04 110.833 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -81.07 -0.42 39.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.963 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.01 34.56 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 71.14 111.134 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 58.24 30.25 19.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 64.24 110.795 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 25.6 57.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 74.43 112.457 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.47 131.99 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 33.02 111.06 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -93.13 159.94 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.888 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.84 158.53 32.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 52.43 110.848 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.29 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 42.23 112.406 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -78.58 171.5 15.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 71.03 110.883 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.94 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.19 159.5 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 72.21 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -121.71 135.53 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.84 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 107.87 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 51.15 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 138.36 39.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 40.11 112.484 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -31.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 72.03 110.829 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.7 38.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 73.41 110.904 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.28 14.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.737 . . . . 54.33 112.5 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -130.19 105.75 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 63.22 110.899 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.94 123.47 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 53.4 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 -158.66 8.05 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 62.25 112.518 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.67 -174.63 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 53.41 110.859 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.7 159.32 4.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 72.3 112.484 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -16.72 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 74.03 110.905 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.64 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.52 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.73 -18.1 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.965 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -25.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 75.45 110.927 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.94 9.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 42.22 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 111.87 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 50.3 111.118 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.02 -24.76 0.55 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 74.32 112.531 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -140.06 11.86 2.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 60.55 110.871 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.8 134.73 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.82 -52.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 63.33 110.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.23 156.28 43.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 58.11 44.81 18.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.879 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.6 m -79.85 65.92 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -165.75 25.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.36 179.15 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 55.23 112.431 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 74.42 110.898 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.762 0.315 . . . . 44.3 111.082 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.33 147.33 45.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.83 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -97.25 143.67 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 64.34 110.893 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.26 -174.28 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 63.52 110.916 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.46 -148.83 51.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 44.14 112.464 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.74 -20.97 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 71.12 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.37 -0.12 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.899 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.05 34.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.142 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 30.46 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 24.24 60.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.848 -0.692 . . . . 61.21 112.456 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 136.96 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 74.42 111.112 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -97.62 160.25 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.91 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.77 158.54 32.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 75.35 110.895 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 71.44 112.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -78.42 171.39 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.907 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 12.01 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 63.53 110.867 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.24 159.48 40.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.938 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.73 135.53 54.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.894 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.3 t -101.27 108.08 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 34.31 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.2 138.38 38.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.804 -0.712 . . . . 53.14 112.432 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -31.06 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 71.13 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -82.71 38.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 64.44 110.956 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.48 43.26 14.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 75.23 112.458 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -130.09 105.69 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.374 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 m -87.87 123.6 32.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.34 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.23 -158.81 8.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 73.1 112.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.61 -174.64 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 71.34 110.827 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.64 159.25 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 51.51 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.21 -16.71 61.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.365 . . . . 54.15 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.65 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.04 111.107 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -118.7 -18.15 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 60.13 110.864 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.9 -24.98 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 54.32 110.849 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.88 163.95 9.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.496 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 111.89 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 64.22 111.061 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.05 -24.81 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 50.21 112.412 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.08 11.97 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 63.51 110.904 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -89.87 134.74 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 64.14 110.854 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.79 -52.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 75.43 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.17 156.3 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 54.02 110.867 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 58.09 44.87 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.903 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.5 m -79.91 65.9 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.839 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.73 25.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.866 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 179.23 25.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.68 -0.771 . . . . 63.14 112.56 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 74.43 110.938 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 74.04 111.074 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.1 147.29 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 61.15 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.24 143.7 27.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.22 -174.22 3.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 63.44 110.93 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.2 -149.03 51.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.658 -0.782 . . . . 74.31 112.539 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.66 -21.07 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 74.14 110.871 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -81.2 -0.33 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 52.32 110.881 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.07 34.52 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 53.14 111.066 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 58.68 30.19 19.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.17 24.84 58.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 71.42 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 135.15 37.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 43.52 111.179 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -95.98 160.03 14.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 64.41 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.7 158.56 32.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 63.32 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -175.2 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 44.43 112.299 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.65 171.44 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.873 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.92 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 63.31 110.875 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.06 159.42 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 70.12 110.954 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.2 m -121.65 135.61 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.33 108.05 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.816 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 138.41 38.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 55.22 112.514 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -45.19 -31.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 63.53 110.87 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -82.73 38.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.899 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.46 43.19 14.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 50.21 112.496 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -130.11 105.75 8.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 75.1 110.831 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.92 123.6 32.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 72.1 110.866 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.78 8.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 64.11 112.495 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.6 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 65.22 110.855 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.59 159.35 4.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 74.14 112.544 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.28 -16.73 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 74.24 110.816 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.71 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 71.14 111.171 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.73 -18.09 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.21 110.915 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.84 -25.02 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.85 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.8 163.86 9.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 65.34 112.587 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.53 111.78 16.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 60.45 111.123 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.07 -24.67 0.54 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 70.14 112.504 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 t -140.19 12.0 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 71.45 110.883 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 t -89.9 134.65 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.882 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 -52.96 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.07 156.34 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 44.13 110.846 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.13 44.85 18.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.2 m -79.89 65.87 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.878 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.68 25.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.11 179.17 24.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 63.24 112.506 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 71.42 110.908 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.748 0.309 . . . . 63.2 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.32 147.3 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.947 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -97.32 143.68 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.785 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.24 -174.29 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 65.31 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.36 -149.14 51.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 73.11 112.436 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.68 -21.02 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 65.24 110.854 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -81.24 -0.24 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.949 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 34.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.7 30.24 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.855 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.93 58.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 65.23 112.459 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.54 135.44 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 31.44 111.092 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -96.18 159.85 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.843 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 m -105.72 158.53 32.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 71.32 110.887 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -175.2 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.669 2.246 . . . . 73.23 112.326 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -78.63 171.53 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.836 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.1 12.0 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.16 159.6 40.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.943 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.82 135.55 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.856 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 108.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.934 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.29 138.35 38.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 65.13 112.486 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -45.17 -30.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.702 0.287 . . . . 64.43 110.877 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -82.76 38.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 71.54 110.851 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.25 14.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 72.34 112.466 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -130.22 105.92 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 61.44 110.878 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -88.02 123.56 32.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.88 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.25 -158.84 8.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 62.22 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.4 -174.66 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 60.23 110.805 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.77 159.23 4.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 71.4 112.496 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -63.22 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 64.23 110.864 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.77 72.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 62.34 111.098 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -118.72 -18.01 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 65.31 110.936 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.88 -25.09 21.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.893 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.97 163.91 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 65.33 112.488 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.5 15.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 63.24 111.037 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.33 -24.7 0.52 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.759 . . . . 54.32 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -140.13 12.1 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 74.41 110.829 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.91 134.75 34.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.903 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.92 -52.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.911 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.18 156.33 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.806 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 58.06 44.72 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 74.14 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m -79.79 66.06 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.899 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.76 25.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 70.41 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.63 179.5 26.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 55.31 112.457 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.304 . . . . 61.31 110.878 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.714 0.293 . . . . 41.21 111.14 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.35 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.912 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.21 143.68 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.849 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.34 -173.95 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 72.14 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.73 -150.62 51.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 51.23 112.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.68 -20.6 49.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.723 0.297 . . . . 70.21 110.866 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.58 0.17 39.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.11 110.943 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.89 33.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 71.3 111.097 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 61.48 28.9 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.56 65.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 71.15 112.509 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 128.84 34.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 71.24 111.073 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -90.73 163.34 14.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 72.5 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.77 158.65 31.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 64.03 110.875 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.29 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 75.42 112.334 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.07 171.47 14.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.99 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 73.42 110.895 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -134.5 160.36 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.95 135.34 54.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.922 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -102.64 108.44 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 52.41 110.877 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.77 138.14 37.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 73.45 112.454 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -45.23 -30.75 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 74.12 110.928 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -82.95 38.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 65.1 110.944 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.75 42.73 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 75.12 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -129.45 105.11 7.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.891 0.377 . . . . 72.51 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.95 123.64 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.87 8.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.832 -0.699 . . . . 74.12 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.95 -174.62 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 42.01 110.843 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.78 159.35 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 32.04 112.533 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.31 -17.09 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 73.23 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 35.04 111.119 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.7 -17.71 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.938 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.93 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.89 9.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.7 -0.762 . . . . 34.34 112.525 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.7 110.74 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 64.23 111.092 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.96 -25.31 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 74.11 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -140.08 11.94 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 74.4 110.853 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.6 t -89.95 134.39 34.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.921 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -124.22 -52.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.935 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.68 155.72 43.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.825 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 58.19 46.31 16.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 64.13 110.949 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.7 m -81.16 65.23 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 62.11 110.867 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -165.67 25.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.882 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.29 178.96 21.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.735 . . . . 61.41 112.476 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 64.04 110.886 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.727 0.298 . . . . 71.0 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 147.35 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 73.34 110.868 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -97.26 144.79 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.912 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 p -141.57 -174.37 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.45 -148.16 51.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 51.22 112.517 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.72 -20.97 53.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 73.31 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -81.69 0.13 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 33.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 61.23 111.119 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.32 30.48 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.01 110.874 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.61 60.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 74.01 112.482 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.68 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 71.31 111.077 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -98.27 160.81 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.72 158.52 32.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 52.41 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -175.26 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.645 2.23 . . . . 72.02 112.341 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.44 171.43 15.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.14 11.97 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 61.21 110.858 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -134.16 159.33 41.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.93 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -121.46 135.49 55.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.929 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.53 108.18 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 138.33 38.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.553 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -45.0 -31.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.352 . . . . 71.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.87 38.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.35 14.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.11 112.487 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -129.81 105.21 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.958 0.409 . . . . 62.43 110.867 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 m -88.03 123.42 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.63 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 52.53 112.539 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.65 3.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 60.31 110.803 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.49 159.14 4.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 30.11 112.474 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -16.87 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 60.21 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.49 -32.71 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 62.32 111.091 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -118.89 -17.8 9.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.894 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.81 -24.82 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.807 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.77 163.86 9.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 74.02 112.547 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.56 113.72 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 74.45 111.093 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.97 -24.45 0.71 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.777 . . . . 24.31 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 12.14 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 70.15 110.842 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.86 134.78 34.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 62.14 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.03 -52.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.859 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.19 156.02 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.51 110.889 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 58.19 45.08 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.878 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.8 m -80.06 65.74 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.904 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -165.72 25.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 54.01 110.871 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.3 179.32 25.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 40.25 112.419 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 73.32 110.85 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.755 0.312 . . . . 52.31 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.14 147.38 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 74.3 110.906 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -97.4 144.06 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.843 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.12 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 72.03 110.86 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.52 -149.3 48.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 50.43 112.441 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -58.66 -21.12 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 42.55 110.859 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -80.87 -0.7 40.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.853 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 54.42 111.089 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 58.11 30.1 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.892 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 25.9 56.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.831 -0.7 . . . . 74.13 112.46 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.18 140.24 38.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 50.34 111.043 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.95 158.48 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 55.45 110.884 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.77 158.63 31.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.671 0.748 . . . . 64.42 110.842 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -175.52 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.264 . . . . 75.42 112.355 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -79.55 171.52 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.87 12.51 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.835 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.28 160.25 37.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -121.13 135.58 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 61.2 110.886 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t -102.31 109.08 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 55.23 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 137.92 36.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.747 -0.74 . . . . 40.03 112.447 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -45.47 -30.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 73.32 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -83.22 37.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.98 43.38 17.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 54.44 112.549 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -130.67 105.28 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 73.22 110.938 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.72 123.51 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.882 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.49 7.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 40.22 112.525 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 75.04 110.859 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.86 5.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.41 112.525 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -17.47 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 73.04 110.886 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.76 -31.98 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.092 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.96 -17.67 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.908 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.9 m -89.72 -24.77 21.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 71.24 110.945 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.87 163.67 9.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.78 -0.724 . . . . 43.24 112.474 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 111.94 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 74.1 111.091 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.99 -23.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 33.24 112.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -140.04 11.87 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 71.2 110.838 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.9 135.38 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.26 -51.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.6 157.41 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.824 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 53.01 47.4 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 73.43 110.898 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.29 65.14 6.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 75.5 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -165.58 25.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.855 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.04 179.87 26.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 74.34 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.752 0.31 . . . . 71.14 110.91 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 61.32 111.071 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.94 147.4 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.941 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -97.4 144.02 27.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 65.51 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.02 -173.85 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 63.33 110.912 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.19 -149.5 47.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 64.11 112.509 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -58.76 -21.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 73.31 110.804 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.69 -0.92 40.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 53.23 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 54.51 111.094 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 57.85 29.9 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.84 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.54 55.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 71.44 112.454 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.42 139.35 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 71.34 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -99.0 157.78 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 52.44 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.68 158.57 32.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 65.33 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.53 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.711 2.274 . . . . 64.01 112.333 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -79.73 171.59 14.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.877 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.5 8.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.934 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.32 160.13 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 65.45 110.823 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.5 m -120.91 135.55 55.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.2 110.811 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.6 t -102.22 108.93 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 62.11 110.929 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.98 137.89 36.62 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.758 -0.734 . . . . 71.45 112.437 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -45.71 -30.27 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 74.34 110.82 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -83.3 37.69 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.948 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.21 43.49 18.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 73.34 112.48 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.89 105.33 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 74.33 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.3 m -87.74 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 51.11 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.4 7.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.77 -0.729 . . . . 71.52 112.542 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.937 0.398 . . . . 62.44 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.66 5.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 52.22 112.501 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.31 -17.46 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 72.13 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -32.14 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.102 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.78 -17.74 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.874 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.72 -24.79 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 51.44 110.881 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 163.73 9.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 62.53 112.499 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.62 111.78 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 75.53 111.089 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.19 -23.79 0.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 52.33 112.454 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -140.09 11.93 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 75.51 110.886 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.95 135.32 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.29 -51.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 64.44 110.816 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.29 157.6 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.86 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.73 47.46 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 73.45 110.922 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.26 65.23 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -165.48 25.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.86 -179.71 25.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.778 . . . . 63.42 112.562 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 71.51 110.884 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.72 0.295 . . . . 63.44 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.93 147.34 46.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 72.54 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -97.36 144.07 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.865 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.15 -173.93 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.877 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.4 -149.24 48.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 51.2 112.532 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.76 -21.03 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 71.03 110.836 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -80.84 -0.68 39.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.939 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.06 34.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 51.24 111.11 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.13 30.05 18.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.84 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 25.8 56.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 33.34 112.509 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.54 39.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 73.23 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 158.31 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.69 158.6 31.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 75.33 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -175.4 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 62.24 112.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -79.68 171.49 15.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 34.01 110.925 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.4 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 61.45 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.29 160.12 38.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 64.21 110.915 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -121.06 135.5 55.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.14 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.2 109.26 20.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 53.13 110.829 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 137.96 35.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 73.05 112.503 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -45.55 -30.49 1.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.765 0.317 . . . . 74.31 110.882 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.16 37.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.34 110.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.06 43.44 17.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 41.12 112.523 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -130.74 105.25 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 71.34 110.865 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.7 123.49 32.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.902 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.45 7.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 75.11 112.462 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.81 -174.65 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 65.45 110.866 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.36 158.82 5.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 71.43 112.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -17.28 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 74.42 110.85 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.33 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.01 111.105 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -118.71 -17.68 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 63.21 110.936 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.69 -24.84 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.01 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.84 163.8 9.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.758 . . . . 73.45 112.438 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.71 112.06 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 75.34 111.129 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.79 -23.66 0.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.5 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 t -140.1 11.85 2.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 71.21 110.876 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.81 135.26 33.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -129.3 -51.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -124.58 157.69 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.03 110.841 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 52.81 47.26 25.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.5 m -81.21 65.2 6.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 70.1 110.906 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -165.56 25.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.31 179.96 27.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 60.41 112.46 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 73.35 110.835 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.718 0.294 . . . . 54.42 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.01 147.34 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.9 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -97.19 143.95 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.936 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.16 -174.0 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.86 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.85 48.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 42.41 112.5 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -21.03 54.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.742 0.306 . . . . 71.34 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -80.8 -0.84 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.25 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.02 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.11 111.118 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.92 29.96 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.13 26.26 55.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 72.41 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.3 137.75 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 73.24 111.066 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 158.04 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 70.53 110.851 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.86 158.66 31.91 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.648 0.737 . . . . 55.4 110.879 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 74.44 112.303 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -79.7 171.24 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.44 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.79 12.72 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.891 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.14 159.86 38.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 73.1 110.913 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.36 135.71 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 65.31 110.937 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.85 110.26 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.26 138.17 34.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 61.42 112.514 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -45.18 -30.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 71.24 110.936 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -83.19 38.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.935 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.85 43.55 16.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 44.53 112.536 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -130.49 105.09 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 64.32 110.854 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.49 123.63 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.3 -158.64 8.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 42.11 112.504 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.51 -174.56 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 64.32 110.815 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.09 158.93 4.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 44.33 112.547 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -63.29 -17.38 62.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 61.14 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.41 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 64.43 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -118.88 -17.76 9.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 73.15 110.967 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.72 -24.83 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 73.5 110.906 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.74 163.27 10.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 72.44 112.543 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.47 110.38 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 54.54 111.118 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.61 -23.48 0.42 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 75.35 112.474 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -139.96 11.75 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 74.41 110.891 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 t -89.8 135.95 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.86 -49.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 71.2 110.896 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.96 158.66 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.848 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 51.82 45.37 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.937 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.68 66.1 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 65.41 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -165.55 25.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.937 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 179.06 33.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.732 -0.747 . . . . 51.54 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.11 110.85 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.761 0.315 . . . . 52.14 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.78 147.36 46.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -97.28 143.98 27.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.16 -174.08 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.847 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.54 -149.84 48.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 74.13 112.497 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.65 -21.15 53.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.747 0.308 . . . . 74.13 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.66 -0.84 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.968 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.95 35.09 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 55.13 111.046 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.97 29.89 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.915 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 26.29 55.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 34.11 112.471 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.05 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 75.22 111.032 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -99.57 157.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.895 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.79 158.5 32.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 74.01 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 -175.43 1.13 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.708 2.272 . . . . 63.24 112.356 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -79.64 171.4 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.931 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.7 12.79 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 53.5 110.828 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.2 159.85 38.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 60.41 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.22 135.76 55.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 44.41 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.04 109.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.88 138.22 34.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 72.52 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -45.36 -30.83 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 73.3 110.918 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -83.13 37.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.92 43.48 16.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 65.1 112.523 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -130.52 105.26 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 72.34 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.7 m -87.71 123.58 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 53.04 110.857 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.34 7.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 60.24 112.493 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.947 0.404 . . . . 71.53 110.804 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.35 158.84 5.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 34.52 112.479 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -17.34 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 61.25 110.825 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.14 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.114 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -118.82 -17.72 9.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.977 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.74 -24.81 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 75.55 110.912 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.89 163.61 10.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 35.01 112.501 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.89 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 74.12 111.116 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.12 -23.54 0.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.499 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 t -140.07 11.97 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.955 0.407 . . . . 41.51 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.9 135.64 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 74.31 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.15 -49.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.52 110.92 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.5 157.76 36.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.821 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.28 46.94 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.874 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.9 m -80.89 65.39 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 72.31 110.924 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.42 25.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.41 -179.03 30.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 51.01 112.445 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 51.23 110.907 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.725 0.298 . . . . 54.52 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.04 147.33 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 70.21 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -97.26 143.98 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.16 -174.11 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.84 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.7 -149.75 48.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.485 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.82 -21.03 55.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 72.34 110.824 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -80.77 -0.74 39.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 73.05 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.98 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.134 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 57.98 30.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.858 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 26.06 56.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 35.02 112.526 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 74.12 111.112 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -98.99 158.05 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.845 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.85 158.55 32.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.721 0.772 . . . . 63.44 110.836 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.702 2.268 . . . . 61.43 112.306 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.63 171.27 15.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.78 12.79 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.843 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.15 159.87 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.36 135.67 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.895 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.91 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.32 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 138.27 34.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.763 -0.732 . . . . 71.15 112.427 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -45.33 -30.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.45 110.868 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -83.09 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.903 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.47 16.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.689 -0.767 . . . . 72.22 112.538 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -130.52 105.23 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 75.23 110.835 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.8 m -87.73 123.58 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.14 -158.38 7.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 61.12 112.493 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.57 3.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 74.34 110.856 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.34 158.86 5.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 45.33 112.494 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.54 -17.23 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 73.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.123 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 73.24 110.916 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.85 -24.81 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.809 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.9 163.51 10.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 71.44 112.432 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 110.79 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 72.25 111.124 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.29 -23.57 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.764 . . . . 44.51 112.493 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -140.08 11.88 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 71.43 110.845 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.88 135.75 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.862 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.24 -49.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.35 157.44 36.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.92 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.54 47.1 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.957 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.27 65.28 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 43.23 110.897 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -165.5 25.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.7 -178.35 29.8 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.784 -0.722 . . . . 74.31 112.468 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 73.44 110.914 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.695 0.283 . . . . 74.32 111.119 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.06 147.38 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.15 110.929 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -97.36 143.98 27.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 64.45 110.813 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.1 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 65.34 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.58 -150.06 48.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 61.43 112.497 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.71 -21.13 54.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 72.01 110.826 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -80.66 -0.89 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 62.35 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 60.41 111.153 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.81 29.91 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.841 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.4 55.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 71.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 138.44 38.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 53.02 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -98.16 157.61 16.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 61.52 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.82 158.58 32.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.743 . . . . 52.13 110.855 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -175.49 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 74.22 112.326 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -79.59 171.42 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 42.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.9 t 65.64 12.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 23.4 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.14 159.78 39.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 52.34 110.956 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -121.24 135.66 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.948 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -101.75 109.9 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 70.05 110.954 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 138.23 34.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 42.24 112.484 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 73.23 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -83.07 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.936 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.81 43.57 16.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 44.25 112.527 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -130.6 105.18 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 70.34 110.866 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.59 123.58 32.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.16 -158.31 7.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 63.12 112.465 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.9 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 63.45 110.869 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.81 5.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 34.54 112.47 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -63.38 -17.32 62.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 62.14 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.16 71.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 62.41 111.069 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.925 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -24.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.66 10.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.666 -0.778 . . . . 62.21 112.439 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 111.09 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 73.24 111.063 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.08 -23.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 70.3 112.51 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.17 11.92 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 62.34 110.846 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.87 135.64 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 74.51 110.955 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.26 -49.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.2 110.891 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.33 157.87 35.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 54.33 110.801 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.1 47.03 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.877 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.08 65.37 6.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.922 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -165.43 25.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 71.51 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.66 -178.52 29.97 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 54.11 112.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 50.33 110.865 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.735 0.302 . . . . 51.41 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.98 147.43 46.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.34 110.942 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -97.35 144.06 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.25 -174.06 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.834 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.48 -150.01 47.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 74.34 112.485 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -21.07 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 72.04 110.855 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -80.76 -0.88 40.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.933 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.03 35.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.151 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 57.93 29.81 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 74.04 110.815 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.03 26.58 55.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.1 139.03 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 75.15 111.08 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -98.67 157.53 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.4 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.52 32.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.678 0.751 . . . . 75.35 110.876 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.46 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.73 2.287 . . . . 73.1 112.281 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -79.67 171.33 15.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.846 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.77 12.75 8.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 45.11 110.816 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.18 159.75 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.15 135.74 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.929 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -101.84 109.89 21.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 62.14 110.861 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 138.18 34.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.847 -0.692 . . . . 52.31 112.478 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -45.36 -30.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 70.2 110.913 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -83.2 37.92 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.937 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.94 43.53 17.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 73.2 112.469 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -130.51 105.25 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 75.13 110.9 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.68 123.57 32.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.866 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.27 7.88 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 32.24 112.445 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.93 -174.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 64.31 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.4 158.85 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 72.43 112.441 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -17.37 62.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 63.12 110.874 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.19 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 63.13 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.82 -17.73 9.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.1 110.927 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.81 -24.87 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.52 10.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 73.13 112.474 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.48 110.88 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 71.42 111.179 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.16 -23.57 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 64.43 112.471 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -140.04 11.84 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 72.41 110.827 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -89.9 135.72 33.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.33 -49.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.43 157.93 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 63.52 110.829 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 52.09 46.73 26.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.13 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.68 65.44 5.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.919 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -165.37 25.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.48 -178.85 30.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 74.21 112.47 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 73.45 110.844 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.774 0.321 . . . . 74.52 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.2 147.37 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.843 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -97.35 143.9 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.17 -174.32 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 62.34 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.52 -149.04 51.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 51.44 112.455 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.75 -21.43 55.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 71.15 110.818 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.52 -1.2 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 61.04 110.932 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.69 34.19 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.144 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.98 30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.898 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 24.23 59.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 55.13 112.505 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 139.78 39.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 73.02 111.153 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -99.81 160.04 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.957 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -105.65 158.75 31.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 72.11 110.881 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.356 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -78.68 171.25 15.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.892 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.33 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 42.54 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.34 160.11 38.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.873 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -121.76 135.49 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.902 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.8 t -102.05 109.41 21.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 34.3 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 138.17 35.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.796 -0.716 . . . . 73.05 112.518 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -30.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 63.02 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -82.98 37.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.21 16.43 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -130.21 105.33 7.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 71.11 110.851 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.6 m -87.8 123.55 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 62.13 110.81 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.23 7.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.677 -0.773 . . . . 54.33 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.89 -174.64 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 62.22 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.21 159.02 5.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 54.54 112.472 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -17.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 64.22 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.35 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.049 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -118.99 -17.44 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.948 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.77 -24.62 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 71.03 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.91 163.39 10.35 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.49 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.59 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 63.33 111.131 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.08 -23.36 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 64.11 112.459 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -139.96 11.82 2.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 73.4 110.882 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.86 135.77 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 71.02 110.916 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.04 -49.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.923 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.96 157.48 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.806 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 53.01 46.67 26.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 63.11 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.45 65.53 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -165.57 25.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.03 110.809 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 178.36 32.32 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.737 -0.744 . . . . 73.25 112.453 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 65.43 110.875 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.697 0.284 . . . . 65.31 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.95 147.33 46.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.871 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -97.43 144.16 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.849 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.12 -174.37 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 63.41 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.8 -149.14 51.56 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 73.5 112.402 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.82 -21.64 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 73.54 110.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.24 -1.38 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.922 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.22 33.98 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.132 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 59.03 30.35 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 73.04 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.06 24.17 60.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.667 -0.778 . . . . 54.43 112.483 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.96 139.99 39.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 75.53 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -100.02 160.14 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.905 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.72 158.73 31.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.728 0.775 . . . . 70.33 110.83 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -175.82 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.674 2.249 . . . . 75.5 112.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -78.84 171.32 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 71.02 110.9 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.09 12.32 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.803 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.55 160.08 38.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.5 m -121.4 135.48 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.876 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.17 108.55 19.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.847 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 138.03 37.33 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.68 -0.772 . . . . 42.35 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.47 -30.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 63.11 110.878 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -83.17 38.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.96 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 24.24 112.498 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -130.33 105.27 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 64.35 110.913 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.5 m -87.7 123.48 32.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 51.15 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.27 -158.38 7.94 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.791 -0.718 . . . . 22.12 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.86 -174.54 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 72.03 110.909 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.78 5.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 63.33 112.499 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.52 -17.49 62.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.758 0.313 . . . . 65.44 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.13 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 42.43 111.068 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -118.88 -17.69 9.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.925 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.74 -24.59 21.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 70.3 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.86 9.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 72.41 112.539 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.16 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.84 0.352 . . . . 64.34 111.111 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.3 -23.58 0.76 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 72.23 112.473 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.3 t -140.08 11.91 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 74.32 110.797 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 t -89.96 135.48 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -129.01 -51.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.883 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.98 157.02 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.864 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 53.74 47.32 23.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 71.05 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.6 m -80.93 65.26 6.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.85 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 ttm-85 -165.68 25.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.892 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 178.4 27.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 74.34 112.538 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 75.51 110.862 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.732 0.301 . . . . 72.44 111.11 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.99 147.29 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 53.44 110.996 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -97.32 143.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.874 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.14 -174.17 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 51.21 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.32 -149.43 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 75.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -21.58 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 70.51 110.872 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -80.12 -1.59 40.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.958 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.36 34.34 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 58.74 30.27 19.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 60.14 110.826 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.66 59.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 62.4 112.502 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 140.12 39.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 71.5 111.139 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -100.07 159.33 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 63.4 110.909 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.71 158.79 31.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 75.3 110.87 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -175.68 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 55.24 112.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -78.88 171.38 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 62.32 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.9 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.53 159.91 39.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 61.53 110.922 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.57 135.51 55.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.871 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.69 108.82 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.897 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.85 138.16 37.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 60.12 112.524 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -45.39 -30.6 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.309 . . . . 75.11 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -83.1 37.83 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 63.24 110.946 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.29 16.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 52.52 112.488 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -130.41 105.43 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 71.02 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.64 123.55 32.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.22 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.35 7.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 54.02 112.505 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.74 -174.55 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 73.53 110.855 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.06 159.0 4.94 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.725 -0.75 . . . . 74.13 112.476 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.36 -17.18 62.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 73.31 110.882 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.42 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 72.51 111.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.89 -17.57 9.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 71.15 110.888 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.85 -24.79 21.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 65.03 110.816 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.49 10.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.749 -0.739 . . . . 71.45 112.567 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.13 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.768 0.318 . . . . 74.25 111.098 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.35 -23.45 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.662 -0.78 . . . . 72.42 112.498 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -140.03 11.81 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 71.01 110.843 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 t -89.91 135.61 33.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.85 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.17 -50.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 71.31 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.83 156.24 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 55.31 110.848 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 54.56 47.28 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 61.13 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.3 m -81.12 65.09 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 54.03 110.91 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -165.75 25.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.872 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.75 -179.96 29.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 50.32 112.448 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 75.12 110.88 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.423 ' HB1' ' NH2' ' A' ' 3' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.748 0.309 . . . . 63.23 111.073 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.68 147.39 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.922 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.423 ' NH2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -97.26 144.22 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.895 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 3.9 p -141.21 -174.35 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 62.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.15 -149.33 51.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.721 . . . . 72.1 112.475 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -21.73 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 75.12 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.06 -1.69 41.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.82 33.89 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 65.54 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.3 30.47 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.917 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.51 61.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.712 -0.756 . . . . 62.04 112.487 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.44 139.7 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 72.33 111.083 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -99.98 160.37 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.41 110.957 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.63 158.7 31.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 74.42 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.79 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 42.32 112.361 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -78.69 171.3 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.861 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.53 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.68 160.05 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.6 m -121.65 135.53 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.07 109.28 20.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.46 138.18 35.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 63.44 112.496 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -45.28 -30.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 51.31 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -83.18 37.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 63.12 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 64.51 112.465 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -130.12 105.11 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 74.04 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.69 123.49 32.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 74.22 110.849 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.37 -158.5 8.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.699 -0.762 . . . . 51.54 112.42 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.55 -174.51 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 42.01 110.876 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.95 158.87 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.706 -0.759 . . . . 41.34 112.523 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -17.34 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 52.5 110.879 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -32.64 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 62.15 111.069 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.92 -17.44 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.54 110.922 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -24.39 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.899 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.83 163.17 10.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 73.45 112.437 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.51 112.24 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 62.22 111.129 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.08 -23.0 0.59 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 40.4 112.504 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -140.03 11.8 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 52.44 110.884 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.0 t -89.79 135.83 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 51.33 110.896 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.97 -49.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.921 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.93 157.4 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.862 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 53.05 46.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.941 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.53 65.53 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.893 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -165.61 25.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.27 178.13 31.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 45.53 112.502 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 72.14 110.915 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 35.11 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.36 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.9 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -97.22 143.77 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 52.24 110.824 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.3 -173.82 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 40.32 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.85 -148.6 50.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 62.2 112.522 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.75 -20.96 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 71.03 110.833 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -81.31 -0.22 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.08 34.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 70.54 111.086 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.93 30.72 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.53 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 23.87 60.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 65.13 112.471 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.01 132.09 36.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 71.22 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -93.88 161.38 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.843 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.73 158.59 32.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 74.05 110.902 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 72.14 112.416 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.3 171.44 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.895 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.92 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.52 110.915 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.22 160.05 39.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 74.35 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.2 m -121.61 135.48 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.941 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -102.38 108.7 20.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 138.17 36.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 71.02 112.468 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -45.32 -30.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 73.23 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -83.06 38.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 61.15 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.69 42.99 15.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 74.03 112.528 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -129.69 105.06 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.32 110.911 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 m -87.95 123.6 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.76 8.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 62.03 112.519 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.98 -174.58 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 74.22 110.81 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 159.32 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.511 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -16.95 61.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.785 0.326 . . . . 61.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.55 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 41.51 111.07 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -118.67 -17.96 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 71.14 110.935 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -25.07 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 75.04 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 163.98 9.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.64 -0.791 . . . . 70.53 112.532 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.2 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 64.11 111.117 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.79 -25.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.753 . . . . 64.23 112.478 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -140.12 12.05 2.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.936 0.398 . . . . 64.13 110.855 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.86 134.19 34.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.31 110.924 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.22 -52.93 1.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.48 156.26 42.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.883 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.02 45.21 18.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 41.43 110.932 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.9 m -80.45 65.52 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 62.33 110.889 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.69 25.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.857 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.77 179.19 23.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.781 -0.723 . . . . 51.34 112.514 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 61.23 110.82 -179.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.695 0.283 . . . . 73.13 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.39 147.31 45.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.881 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -97.17 143.73 27.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.853 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.23 -173.84 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 63.52 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.86 -148.29 50.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.719 . . . . 35.13 112.433 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.64 -20.91 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 62.13 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.49 -0.07 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.11 34.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.069 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.48 30.78 20.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.883 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.18 22.89 62.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 74.43 112.519 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.92 136.5 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 54.33 111.132 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -97.85 161.53 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.62 31.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.63 0.729 . . . . 74.02 110.933 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -175.23 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 73.15 112.312 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -78.43 171.41 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 54.4 110.82 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.19 11.94 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -134.14 160.14 38.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 64.44 110.905 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.69 135.57 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -102.63 108.83 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.1 138.16 36.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 63.54 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -30.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 64.41 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -82.96 37.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 51.23 110.956 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 42.93 15.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 61.11 112.479 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -129.72 105.12 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 62.1 110.94 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.93 123.6 32.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 60.04 110.849 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.82 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.695 -0.764 . . . . 63.3 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.91 -174.53 3.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 73.22 110.832 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.62 159.39 4.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 62.04 112.486 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.41 -16.9 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.762 0.315 . . . . 54.2 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.8 -32.54 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -118.62 -17.95 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.899 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.92 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.843 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.95 9.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 63.2 112.482 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 110.41 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 53.5 111.063 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.6 -25.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.421 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -140.1 11.92 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 73.23 110.858 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.1 t -89.9 134.04 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.1 -52.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.34 110.934 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.49 156.22 42.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 53.11 110.871 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 58.1 45.24 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 52.53 110.89 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 80.9 m -80.47 65.53 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.939 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -165.73 25.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 72.33 110.869 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 179.05 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 33.15 112.494 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 72.41 110.886 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.672 0.272 . . . . 65.31 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 147.3 46.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -97.21 143.63 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.44 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.23 -174.26 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 42.43 110.889 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -149.3 51.05 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.749 -0.738 . . . . 34.15 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -58.71 -21.14 54.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 62.04 110.833 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -81.07 -0.42 39.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.963 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.01 34.56 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 71.14 111.134 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 58.24 30.25 19.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 64.24 110.795 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 25.6 57.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 74.43 112.457 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.47 131.99 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 33.02 111.06 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -93.13 159.94 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.888 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.84 158.53 32.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 52.43 110.848 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.29 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 42.23 112.406 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -78.58 171.5 15.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 71.03 110.883 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.94 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.19 159.5 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 72.21 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -121.71 135.53 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.84 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 107.87 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 51.15 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 138.36 39.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 40.11 112.484 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -31.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 72.03 110.829 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.7 38.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 73.41 110.904 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.28 14.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.737 . . . . 54.33 112.5 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -130.19 105.75 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 63.22 110.899 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.94 123.47 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 53.4 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 -158.66 8.05 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 62.25 112.518 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.67 -174.63 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 53.41 110.859 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.7 159.32 4.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 72.3 112.484 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -16.72 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 74.03 110.905 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.64 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.52 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.73 -18.1 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.965 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -25.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 75.45 110.927 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.94 9.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 42.22 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 111.87 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 50.3 111.118 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.02 -24.76 0.55 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 74.32 112.531 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -140.06 11.86 2.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 60.55 110.871 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.8 134.73 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.82 -52.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 63.33 110.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.23 156.28 43.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 58.11 44.81 18.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.879 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.6 m -79.85 65.92 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -165.75 25.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.36 179.15 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 55.23 112.431 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 74.42 110.898 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.762 0.315 . . . . 44.3 111.082 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.33 147.33 45.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.83 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -97.25 143.67 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 64.34 110.893 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.26 -174.28 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 63.52 110.916 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.46 -148.83 51.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 44.14 112.464 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.74 -20.97 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 71.12 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.37 -0.12 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.899 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.05 34.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.142 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 30.46 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 24.24 60.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.848 -0.692 . . . . 61.21 112.456 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 136.96 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 74.42 111.112 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -97.62 160.25 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.91 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.77 158.54 32.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 75.35 110.895 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 71.44 112.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -78.42 171.39 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.907 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 12.01 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 63.53 110.867 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.24 159.48 40.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.938 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.73 135.53 54.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.894 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.3 t -101.27 108.08 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 34.31 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.2 138.38 38.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.804 -0.712 . . . . 53.14 112.432 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -31.06 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 71.13 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -82.71 38.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 64.44 110.956 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.48 43.26 14.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 75.23 112.458 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -130.09 105.69 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.374 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 m -87.87 123.6 32.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.34 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.23 -158.81 8.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 73.1 112.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.61 -174.64 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 71.34 110.827 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.64 159.25 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 51.51 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.21 -16.71 61.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.365 . . . . 54.15 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.65 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.04 111.107 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -118.7 -18.15 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 60.13 110.864 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.9 -24.98 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 54.32 110.849 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.88 163.95 9.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.496 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 111.89 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 64.22 111.061 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.05 -24.81 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 50.21 112.412 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.08 11.97 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 63.51 110.904 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -89.87 134.74 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 64.14 110.854 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.79 -52.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 75.43 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.17 156.3 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 54.02 110.867 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 58.09 44.87 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.903 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.5 m -79.91 65.9 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.839 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.73 25.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.866 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 179.23 25.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.68 -0.771 . . . . 63.14 112.56 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 74.43 110.938 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 74.04 111.074 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.1 147.29 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 61.15 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.24 143.7 27.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.22 -174.22 3.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 63.44 110.93 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.2 -149.03 51.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.658 -0.782 . . . . 74.31 112.539 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.66 -21.07 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 74.14 110.871 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -81.2 -0.33 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 52.32 110.881 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.07 34.52 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 53.14 111.066 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 58.68 30.19 19.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.17 24.84 58.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 71.42 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 135.15 37.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 43.52 111.179 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -95.98 160.03 14.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 64.41 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.7 158.56 32.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 63.32 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -175.2 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 44.43 112.299 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.65 171.44 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.873 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.92 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 63.31 110.875 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.06 159.42 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 70.12 110.954 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.2 m -121.65 135.61 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.33 108.05 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.816 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 138.41 38.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 55.22 112.514 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -45.19 -31.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 63.53 110.87 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -82.73 38.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.899 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.46 43.19 14.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 50.21 112.496 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -130.11 105.75 8.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 75.1 110.831 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.92 123.6 32.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 72.1 110.866 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.78 8.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 64.11 112.495 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.6 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 65.22 110.855 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.59 159.35 4.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 74.14 112.544 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.28 -16.73 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 74.24 110.816 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.71 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 71.14 111.171 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.73 -18.09 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.21 110.915 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.84 -25.02 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.85 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.8 163.86 9.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 65.34 112.587 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.53 111.78 16.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 60.45 111.123 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.07 -24.67 0.54 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 70.14 112.504 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 t -140.19 12.0 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 71.45 110.883 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 t -89.9 134.65 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.882 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 -52.96 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.07 156.34 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 44.13 110.846 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.13 44.85 18.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.2 m -79.89 65.87 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.878 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.68 25.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.11 179.17 24.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 63.24 112.506 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 71.42 110.908 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.748 0.309 . . . . 63.2 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.32 147.3 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.947 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -97.32 143.68 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.785 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.24 -174.29 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 65.31 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.36 -149.14 51.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 73.11 112.436 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.68 -21.02 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 65.24 110.854 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -81.24 -0.24 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.949 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 34.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.7 30.24 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.855 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.93 58.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 65.23 112.459 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.54 135.44 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 31.44 111.092 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -96.18 159.85 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.843 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 m -105.72 158.53 32.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 71.32 110.887 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -175.2 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.669 2.246 . . . . 73.23 112.326 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -78.63 171.53 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.836 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.1 12.0 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.16 159.6 40.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.943 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.82 135.55 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.856 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 108.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.934 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.29 138.35 38.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 65.13 112.486 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -45.17 -30.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.702 0.287 . . . . 64.43 110.877 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -82.76 38.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 71.54 110.851 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.25 14.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 72.34 112.466 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -130.22 105.92 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 61.44 110.878 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -88.02 123.56 32.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.88 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.25 -158.84 8.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 62.22 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.4 -174.66 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 60.23 110.805 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.77 159.23 4.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 71.4 112.496 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -63.22 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 64.23 110.864 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.77 72.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 62.34 111.098 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -118.72 -18.01 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 65.31 110.936 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.88 -25.09 21.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.893 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.97 163.91 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 65.33 112.488 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.5 15.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 63.24 111.037 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.33 -24.7 0.52 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.759 . . . . 54.32 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -140.13 12.1 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 74.41 110.829 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.91 134.75 34.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.903 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.92 -52.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.911 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.18 156.33 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.806 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 58.06 44.72 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 74.14 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m -79.79 66.06 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.899 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.76 25.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 70.41 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.63 179.5 26.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 55.31 112.457 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.304 . . . . 61.31 110.878 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.714 0.293 . . . . 41.21 111.14 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.35 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.912 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.21 143.68 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.849 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.34 -173.95 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 72.14 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.73 -150.62 51.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 51.23 112.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.68 -20.6 49.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.723 0.297 . . . . 70.21 110.866 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.58 0.17 39.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.11 110.943 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.89 33.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 71.3 111.097 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 61.48 28.9 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.56 65.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 71.15 112.509 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 128.84 34.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 71.24 111.073 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -90.73 163.34 14.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 72.5 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.77 158.65 31.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 64.03 110.875 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.29 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 75.42 112.334 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.07 171.47 14.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.99 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 73.42 110.895 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -134.5 160.36 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.95 135.34 54.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.922 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -102.64 108.44 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 52.41 110.877 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.77 138.14 37.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 73.45 112.454 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -45.23 -30.75 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 74.12 110.928 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -82.95 38.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 65.1 110.944 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.75 42.73 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 75.12 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -129.45 105.11 7.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.891 0.377 . . . . 72.51 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.95 123.64 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.87 8.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.832 -0.699 . . . . 74.12 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.95 -174.62 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 42.01 110.843 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.78 159.35 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 32.04 112.533 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.31 -17.09 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 73.23 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 35.04 111.119 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.7 -17.71 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.938 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.93 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.89 9.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.7 -0.762 . . . . 34.34 112.525 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.7 110.74 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 64.23 111.092 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.96 -25.31 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 74.11 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -140.08 11.94 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 74.4 110.853 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.6 t -89.95 134.39 34.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.921 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -124.22 -52.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.935 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.68 155.72 43.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.825 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 58.19 46.31 16.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 64.13 110.949 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.7 m -81.16 65.23 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 62.11 110.867 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -165.67 25.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.882 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.29 178.96 21.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.735 . . . . 61.41 112.476 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 64.04 110.886 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.727 0.298 . . . . 71.0 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 147.35 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 73.34 110.868 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -97.26 144.79 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.912 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 p -141.57 -174.37 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.45 -148.16 51.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 51.22 112.517 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.72 -20.97 53.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 73.31 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -81.69 0.13 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 33.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 61.23 111.119 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.32 30.48 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.01 110.874 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.61 60.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 74.01 112.482 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.68 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 71.31 111.077 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -98.27 160.81 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.72 158.52 32.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 52.41 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -175.26 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.645 2.23 . . . . 72.02 112.341 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.44 171.43 15.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.14 11.97 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 61.21 110.858 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -134.16 159.33 41.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.93 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -121.46 135.49 55.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.929 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.53 108.18 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 138.33 38.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.553 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -45.0 -31.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.352 . . . . 71.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.87 38.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.35 14.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.11 112.487 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -129.81 105.21 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.958 0.409 . . . . 62.43 110.867 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 m -88.03 123.42 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.63 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 52.53 112.539 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.65 3.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 60.31 110.803 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.49 159.14 4.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 30.11 112.474 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -16.87 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 60.21 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.49 -32.71 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 62.32 111.091 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -118.89 -17.8 9.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.894 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.81 -24.82 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.807 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.77 163.86 9.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 74.02 112.547 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.56 113.72 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 74.45 111.093 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.97 -24.45 0.71 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.777 . . . . 24.31 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 12.14 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 70.15 110.842 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.86 134.78 34.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 62.14 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.03 -52.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.859 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.19 156.02 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.51 110.889 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 58.19 45.08 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.878 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.8 m -80.06 65.74 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.904 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -165.72 25.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 54.01 110.871 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.3 179.32 25.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 40.25 112.419 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 73.32 110.85 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.755 0.312 . . . . 52.31 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.14 147.38 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 74.3 110.906 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -97.4 144.06 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.843 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.12 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 72.03 110.86 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.52 -149.3 48.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 50.43 112.441 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -58.66 -21.12 53.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 42.55 110.859 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -80.87 -0.7 40.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.853 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 54.42 111.089 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 58.11 30.1 18.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.892 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 25.9 56.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.831 -0.7 . . . . 74.13 112.46 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.18 140.24 38.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 50.34 111.043 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.95 158.48 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 55.45 110.884 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.77 158.63 31.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.671 0.748 . . . . 64.42 110.842 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -175.52 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.264 . . . . 75.42 112.355 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -79.55 171.52 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.87 12.51 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.835 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.28 160.25 37.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -121.13 135.58 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 61.2 110.886 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t -102.31 109.08 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 55.23 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 137.92 36.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.747 -0.74 . . . . 40.03 112.447 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -45.47 -30.49 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 73.32 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -83.22 37.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.98 43.38 17.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 54.44 112.549 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -130.67 105.28 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 73.22 110.938 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.72 123.51 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.882 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.49 7.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 40.22 112.525 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 75.04 110.859 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.86 5.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.41 112.525 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -17.47 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 73.04 110.886 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.76 -31.98 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.092 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.96 -17.67 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.908 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.9 m -89.72 -24.77 21.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 71.24 110.945 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.87 163.67 9.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.78 -0.724 . . . . 43.24 112.474 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 111.94 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 74.1 111.091 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.99 -23.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 33.24 112.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -140.04 11.87 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 71.2 110.838 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.9 135.38 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.26 -51.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.6 157.41 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.824 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 53.01 47.4 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 73.43 110.898 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.29 65.14 6.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 75.5 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -165.58 25.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.855 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.04 179.87 26.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 74.34 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.752 0.31 . . . . 71.14 110.91 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 61.32 111.071 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.94 147.4 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.941 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -97.4 144.02 27.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 65.51 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.02 -173.85 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 63.33 110.912 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.19 -149.5 47.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 64.11 112.509 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -58.76 -21.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.291 . . . . 73.31 110.804 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -80.69 -0.92 40.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 53.23 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 54.51 111.094 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 57.85 29.9 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.84 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.54 55.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 71.44 112.454 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.42 139.35 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 71.34 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -99.0 157.78 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 52.44 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.68 158.57 32.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 65.33 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.53 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.711 2.274 . . . . 64.01 112.333 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -79.73 171.59 14.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.877 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.5 8.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.934 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.32 160.13 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 65.45 110.823 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.5 m -120.91 135.55 55.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.2 110.811 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.6 t -102.22 108.93 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 62.11 110.929 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.98 137.89 36.62 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.758 -0.734 . . . . 71.45 112.437 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -45.71 -30.27 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 74.34 110.82 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -83.3 37.69 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.948 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.21 43.49 18.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.75 . . . . 73.34 112.48 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.89 105.33 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 74.33 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.3 m -87.74 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 51.11 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.4 7.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.77 -0.729 . . . . 71.52 112.542 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.937 0.398 . . . . 62.44 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.55 158.66 5.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 52.22 112.501 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.31 -17.46 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 72.13 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -32.14 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.102 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.78 -17.74 9.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.874 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.72 -24.79 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 51.44 110.881 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 163.73 9.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 62.53 112.499 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.62 111.78 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 75.53 111.089 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.19 -23.79 0.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 52.33 112.454 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -140.09 11.93 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 75.51 110.886 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.95 135.32 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -129.29 -51.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 64.44 110.816 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.29 157.6 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.86 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.73 47.46 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 73.45 110.922 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.26 65.23 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.876 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -165.48 25.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.86 -179.71 25.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.778 . . . . 63.42 112.562 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 71.51 110.884 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.72 0.295 . . . . 63.44 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.93 147.34 46.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 72.54 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -97.36 144.07 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.865 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.4 p -141.15 -173.93 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.877 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.4 -149.24 48.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 51.2 112.532 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.76 -21.03 54.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 71.03 110.836 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -80.84 -0.68 39.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.939 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.06 34.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 51.24 111.11 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.13 30.05 18.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.84 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 25.8 56.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 33.34 112.509 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.54 39.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 73.23 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 158.31 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.69 158.6 31.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 75.33 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -175.4 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 62.24 112.333 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -79.68 171.49 15.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 34.01 110.925 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.4 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 61.45 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.29 160.12 38.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 64.21 110.915 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -121.06 135.5 55.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.14 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.2 109.26 20.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 53.13 110.829 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 137.96 35.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 73.05 112.503 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -45.55 -30.49 1.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.765 0.317 . . . . 74.31 110.882 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.16 37.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.34 110.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.06 43.44 17.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 41.12 112.523 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -130.74 105.25 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 71.34 110.865 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.238 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.7 123.49 32.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.902 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.21 -158.45 7.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 75.11 112.462 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.81 -174.65 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 65.45 110.866 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.36 158.82 5.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 71.43 112.465 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -17.28 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 74.42 110.85 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.33 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.01 111.105 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -118.71 -17.68 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 63.21 110.936 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.69 -24.84 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.01 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.84 163.8 9.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.758 . . . . 73.45 112.438 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.71 112.06 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.902 0.382 . . . . 75.34 111.129 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.79 -23.66 0.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.5 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 t -140.1 11.85 2.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 71.21 110.876 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.81 135.26 33.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -129.3 -51.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -124.58 157.69 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.03 110.841 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 52.81 47.26 25.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.5 m -81.21 65.2 6.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 70.1 110.906 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -165.56 25.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.31 179.96 27.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 60.41 112.46 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 73.35 110.835 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.718 0.294 . . . . 54.42 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.01 147.34 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.9 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -97.19 143.95 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.936 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.16 -174.0 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.86 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.85 48.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 42.41 112.5 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -21.03 54.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.742 0.306 . . . . 71.34 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -80.8 -0.84 40.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.25 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.04 35.02 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.11 111.118 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.92 29.96 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.13 26.26 55.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 72.41 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.3 137.75 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 73.24 111.066 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 158.04 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 70.53 110.851 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.86 158.66 31.91 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.648 0.737 . . . . 55.4 110.879 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 74.44 112.303 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -79.7 171.24 15.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.44 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.79 12.72 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.891 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.14 159.86 38.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 73.1 110.913 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.36 135.71 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 65.31 110.937 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.85 110.26 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.881 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.26 138.17 34.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 61.42 112.514 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -45.18 -30.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 71.24 110.936 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -83.19 38.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.935 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.85 43.55 16.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 44.53 112.536 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -130.49 105.09 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 64.32 110.854 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.271 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.49 123.63 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.3 -158.64 8.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 42.11 112.504 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.51 -174.56 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 64.32 110.815 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.09 158.93 4.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 44.33 112.547 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -63.29 -17.38 62.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 61.14 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.41 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 64.43 111.121 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -118.88 -17.76 9.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 73.15 110.967 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.72 -24.83 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 73.5 110.906 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.74 163.27 10.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 72.44 112.543 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.47 110.38 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 54.54 111.118 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.61 -23.48 0.42 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 75.35 112.474 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -139.96 11.75 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 74.41 110.891 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 t -89.8 135.95 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.86 -49.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 71.2 110.896 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.96 158.66 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.848 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 51.82 45.37 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.937 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.68 66.1 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 65.41 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -165.55 25.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.937 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 179.06 33.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.732 -0.747 . . . . 51.54 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.11 110.85 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.761 0.315 . . . . 52.14 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.78 147.36 46.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -97.28 143.98 27.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.16 -174.08 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.847 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.54 -149.84 48.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 74.13 112.497 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.65 -21.15 53.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.747 0.308 . . . . 74.13 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.66 -0.84 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.968 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.95 35.09 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 55.13 111.046 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.97 29.89 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.915 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.07 26.29 55.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 34.11 112.471 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.05 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 75.22 111.032 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -99.57 157.75 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.895 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.79 158.5 32.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 74.01 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 -175.43 1.13 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.708 2.272 . . . . 63.24 112.356 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -79.64 171.4 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.931 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.7 12.79 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 53.5 110.828 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.2 159.85 38.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 60.41 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.22 135.76 55.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 44.41 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.04 109.87 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.88 138.22 34.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 72.52 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -45.36 -30.83 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 73.3 110.918 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -83.13 37.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.92 43.48 16.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 65.1 112.523 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -130.52 105.26 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 72.34 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.7 m -87.71 123.58 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 53.04 110.857 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.34 7.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 60.24 112.493 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.61 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.947 0.404 . . . . 71.53 110.804 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.35 158.84 5.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 34.52 112.479 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -17.34 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 61.25 110.825 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.14 71.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.114 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -118.82 -17.72 9.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.977 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.74 -24.81 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 75.55 110.912 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.89 163.61 10.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 35.01 112.501 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.89 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 74.12 111.116 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.12 -23.54 0.46 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.499 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 t -140.07 11.97 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.955 0.407 . . . . 41.51 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.9 135.64 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 74.31 110.875 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.15 -49.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.52 110.92 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.5 157.76 36.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.821 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.28 46.94 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.874 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.9 m -80.89 65.39 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 72.31 110.924 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.42 25.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.41 -179.03 30.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 51.01 112.445 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 51.23 110.907 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.725 0.298 . . . . 54.52 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.04 147.33 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 70.21 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -97.26 143.98 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.16 -174.11 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.84 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.7 -149.75 48.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.485 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.82 -21.03 55.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 72.34 110.824 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -80.77 -0.74 39.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 73.05 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.98 35.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.134 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 57.98 30.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.858 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.1 26.06 56.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 35.02 112.526 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 74.12 111.112 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -98.99 158.05 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.845 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.85 158.55 32.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.721 0.772 . . . . 63.44 110.836 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.702 2.268 . . . . 61.43 112.306 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.63 171.27 15.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.78 12.79 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.843 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.15 159.87 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.36 135.67 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.895 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.91 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.32 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 138.27 34.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.763 -0.732 . . . . 71.15 112.427 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -45.33 -30.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.45 110.868 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -83.09 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.903 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.47 16.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.689 -0.767 . . . . 72.22 112.538 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -130.52 105.23 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 75.23 110.835 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.8 m -87.73 123.58 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.14 -158.38 7.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 61.12 112.493 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.85 -174.57 3.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 74.34 110.856 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.34 158.86 5.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 45.33 112.494 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.54 -17.23 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 73.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.123 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 73.24 110.916 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.85 -24.81 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.809 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.9 163.51 10.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 71.44 112.432 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 110.79 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 72.25 111.124 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.29 -23.57 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.764 . . . . 44.51 112.493 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -140.08 11.88 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 71.43 110.845 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.88 135.75 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.862 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.24 -49.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.35 157.44 36.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.92 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 52.54 47.1 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.957 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.27 65.28 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 43.23 110.897 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -165.5 25.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.7 -178.35 29.8 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.784 -0.722 . . . . 74.31 112.468 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 73.44 110.914 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.695 0.283 . . . . 74.32 111.119 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.06 147.38 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.15 110.929 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -97.36 143.98 27.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 64.45 110.813 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.3 p -141.1 -173.98 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 65.34 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.58 -150.06 48.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 61.43 112.497 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.71 -21.13 54.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 72.01 110.826 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -80.66 -0.89 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 62.35 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.99 35.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 60.41 111.153 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.81 29.91 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.841 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 26.4 55.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 71.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 138.44 38.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 53.02 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -98.16 157.61 16.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 61.52 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.82 158.58 32.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.743 . . . . 52.13 110.855 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -175.49 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 74.22 112.326 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -79.59 171.42 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 42.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.9 t 65.64 12.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 23.4 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.14 159.78 39.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 52.34 110.956 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -121.24 135.66 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.948 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -101.75 109.9 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 70.05 110.954 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 138.23 34.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 42.24 112.484 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -30.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 73.23 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -83.07 37.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.936 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.81 43.57 16.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 44.25 112.527 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -130.6 105.18 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 70.34 110.866 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.59 123.58 32.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.16 -158.31 7.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 63.12 112.465 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.9 -174.58 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 63.45 110.869 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.81 5.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 34.54 112.47 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -63.38 -17.32 62.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 62.14 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.16 71.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 62.41 111.069 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.86 -17.72 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.925 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -24.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.66 10.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.666 -0.778 . . . . 62.21 112.439 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 111.09 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 73.24 111.063 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.08 -23.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 70.3 112.51 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.17 11.92 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 62.34 110.846 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.4 t -89.87 135.64 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 74.51 110.955 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.26 -49.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.2 110.891 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -125.33 157.87 35.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 54.33 110.801 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 52.1 47.03 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.877 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.08 65.37 6.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.922 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -165.43 25.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 71.51 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.66 -178.52 29.97 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 54.11 112.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 50.33 110.865 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.735 0.302 . . . . 51.41 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.98 147.43 46.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.34 110.942 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -97.35 144.06 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.41 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.25 -174.06 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.834 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.48 -150.01 47.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 74.34 112.485 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -21.07 52.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 72.04 110.855 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -80.76 -0.88 40.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.933 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.03 35.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.151 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 57.93 29.81 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 74.04 110.815 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.03 26.58 55.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.1 139.03 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 75.15 111.08 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -98.67 157.53 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.4 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.52 32.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.678 0.751 . . . . 75.35 110.876 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.46 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.73 2.287 . . . . 73.1 112.281 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -79.67 171.33 15.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.846 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.77 12.75 8.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 45.11 110.816 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -133.18 159.75 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.15 135.74 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.929 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.0 t -101.84 109.89 21.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 62.14 110.861 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 138.18 34.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.847 -0.692 . . . . 52.31 112.478 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -45.36 -30.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 70.2 110.913 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -83.2 37.92 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.937 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.94 43.53 17.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 73.2 112.469 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -130.51 105.25 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 75.13 110.9 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.68 123.57 32.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.866 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.27 7.88 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 32.24 112.445 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.93 -174.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 64.31 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.4 158.85 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 72.43 112.441 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -17.37 62.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 63.12 110.874 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.19 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 63.13 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.82 -17.73 9.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.1 110.927 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.81 -24.87 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.52 10.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 73.13 112.474 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.48 110.88 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 71.42 111.179 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.16 -23.57 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 64.43 112.471 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -140.04 11.84 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 72.41 110.827 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 t -89.9 135.72 33.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.33 -49.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.43 157.93 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 63.52 110.829 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 52.09 46.73 26.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.13 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.68 65.44 5.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.919 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -165.37 25.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.92 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.48 -178.85 30.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 74.21 112.47 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 73.45 110.844 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.774 0.321 . . . . 74.52 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.2 147.37 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.843 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -97.35 143.9 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.17 -174.32 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 62.34 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.52 -149.04 51.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 51.44 112.455 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.75 -21.43 55.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 71.15 110.818 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.52 -1.2 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 61.04 110.932 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.69 34.19 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.144 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.98 30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.898 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 24.23 59.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.704 -0.76 . . . . 55.13 112.505 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.71 139.78 39.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 73.02 111.153 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -99.81 160.04 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.957 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -105.65 158.75 31.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 72.11 110.881 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.356 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -78.68 171.25 15.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.892 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.95 12.33 8.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 42.54 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.34 160.11 38.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.873 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -121.76 135.49 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.902 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.8 t -102.05 109.41 21.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 34.3 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 138.17 35.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.796 -0.716 . . . . 73.05 112.518 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -30.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 63.02 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -82.98 37.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.21 16.43 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -130.21 105.33 7.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 71.11 110.851 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.297 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.6 m -87.8 123.55 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 62.13 110.81 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.23 7.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.677 -0.773 . . . . 54.33 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.89 -174.64 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 62.22 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.21 159.02 5.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 54.54 112.472 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -17.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 64.22 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.35 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.049 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -118.99 -17.44 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.948 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.77 -24.62 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 71.03 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.91 163.39 10.35 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.49 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.59 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 63.33 111.131 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.08 -23.36 0.53 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 64.11 112.459 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -139.96 11.82 2.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 73.4 110.882 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.8 t -89.86 135.77 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 71.02 110.916 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.04 -49.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 71.31 110.923 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.96 157.48 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.806 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 53.01 46.67 26.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 63.11 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.8 m -80.45 65.53 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -165.57 25.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.03 110.809 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 178.36 32.32 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.737 -0.744 . . . . 73.25 112.453 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 65.43 110.875 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.697 0.284 . . . . 65.31 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.95 147.33 46.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.871 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -97.43 144.16 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.849 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.12 -174.37 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 63.41 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.8 -149.14 51.56 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 73.5 112.402 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.82 -21.64 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 73.54 110.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.24 -1.38 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.922 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.22 33.98 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.132 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 59.03 30.35 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 73.04 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.06 24.17 60.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.667 -0.778 . . . . 54.43 112.483 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.96 139.99 39.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 75.53 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -100.02 160.14 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.905 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -105.72 158.73 31.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.728 0.775 . . . . 70.33 110.83 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -175.82 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.674 2.249 . . . . 75.5 112.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -78.84 171.32 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 71.02 110.9 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.09 12.32 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.803 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.55 160.08 38.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.5 m -121.4 135.48 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.876 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.17 108.55 19.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.847 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 138.03 37.33 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.68 -0.772 . . . . 42.35 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.47 -30.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 63.11 110.878 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -83.17 38.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.96 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 24.24 112.498 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -130.33 105.27 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 64.35 110.913 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.5 m -87.7 123.48 32.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 51.15 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.27 -158.38 7.94 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.791 -0.718 . . . . 22.12 112.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -133.86 -174.54 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 72.03 110.909 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.39 158.78 5.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 63.33 112.499 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.52 -17.49 62.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.758 0.313 . . . . 65.44 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.13 71.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 42.43 111.068 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -118.88 -17.69 9.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.925 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.74 -24.59 21.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 70.3 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.86 9.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 72.41 112.539 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.16 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.84 0.352 . . . . 64.34 111.111 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.3 -23.58 0.76 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 72.23 112.473 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.3 t -140.08 11.91 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 74.32 110.797 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 t -89.96 135.48 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -129.01 -51.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.883 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -124.98 157.02 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.864 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 53.74 47.32 23.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 71.05 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.6 m -80.93 65.26 6.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.85 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 ttm-85 -165.68 25.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.892 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 178.4 27.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 74.34 112.538 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 75.51 110.862 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.732 0.301 . . . . 72.44 111.11 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.99 147.29 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 53.44 110.996 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -97.32 143.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.874 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.2 p -141.14 -174.17 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 51.21 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.32 -149.43 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 75.41 112.516 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -21.58 55.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 70.51 110.872 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -80.12 -1.59 40.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.958 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.36 34.34 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 58.74 30.27 19.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 60.14 110.826 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.66 59.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 62.4 112.502 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 140.12 39.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 71.5 111.139 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -100.07 159.33 15.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 63.4 110.909 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.71 158.79 31.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 75.3 110.87 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -175.68 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 55.24 112.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -78.88 171.38 15.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 62.32 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.9 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -133.53 159.91 39.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 61.53 110.922 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.57 135.51 55.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.871 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.69 108.82 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.897 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.85 138.16 37.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 60.12 112.524 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -45.39 -30.6 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.309 . . . . 75.11 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -83.1 37.83 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 63.24 110.946 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.89 43.29 16.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 52.52 112.488 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -130.41 105.43 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 71.02 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.2 m -87.64 123.55 32.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.22 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.18 -158.35 7.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 54.02 112.505 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.74 -174.55 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 73.53 110.855 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.06 159.0 4.94 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.725 -0.75 . . . . 74.13 112.476 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.36 -17.18 62.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 73.31 110.882 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.42 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 72.51 111.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.89 -17.57 9.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 71.15 110.888 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.85 -24.79 21.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 65.03 110.816 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.82 163.49 10.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.749 -0.739 . . . . 71.45 112.567 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.13 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.768 0.318 . . . . 74.25 111.098 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.35 -23.45 0.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.662 -0.78 . . . . 72.42 112.498 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -140.03 11.81 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 71.01 110.843 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 t -89.91 135.61 33.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.85 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.17 -50.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 71.31 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.83 156.24 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 55.31 110.848 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 54.56 47.28 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 61.13 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.3 m -81.12 65.09 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 54.03 110.91 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -165.75 25.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.872 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.75 -179.96 29.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 50.32 112.448 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 75.12 110.88 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' HB1' ' NH2' ' A' ' 3' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.748 0.309 . . . . 63.23 111.073 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.68 147.39 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.922 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.423 ' NH2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -97.26 144.22 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.895 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 3.9 p -141.21 -174.35 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 62.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.15 -149.33 51.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.721 . . . . 72.1 112.475 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -21.73 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 75.12 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.06 -1.69 41.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.82 33.89 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 65.54 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.3 30.47 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.917 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.51 61.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.712 -0.756 . . . . 62.04 112.487 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.44 139.7 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 72.33 111.083 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -99.98 160.37 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.41 110.957 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -105.63 158.7 31.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 74.42 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.79 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 42.32 112.361 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -78.69 171.3 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.861 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 t 65.86 12.53 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -133.68 160.05 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.6 m -121.65 135.53 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.07 109.28 20.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.46 138.18 35.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 63.44 112.496 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -45.28 -30.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 51.31 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -83.18 37.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 63.12 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 43.21 16.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 64.51 112.465 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -130.12 105.11 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 74.04 110.887 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.303 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.69 123.49 32.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 74.22 110.849 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.37 -158.5 8.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.699 -0.762 . . . . 51.54 112.42 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.55 -174.51 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 42.01 110.876 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.95 158.87 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.706 -0.759 . . . . 41.34 112.523 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -17.34 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 52.5 110.879 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -32.64 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 62.15 111.069 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.92 -17.44 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.54 110.922 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -24.39 21.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.899 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.83 163.17 10.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 73.45 112.437 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.51 112.24 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 62.22 111.129 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.08 -23.0 0.59 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 40.4 112.504 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -140.03 11.8 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 52.44 110.884 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.0 t -89.79 135.83 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 51.33 110.896 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.97 -49.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.921 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -125.93 157.4 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.862 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 53.05 46.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.941 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.53 65.53 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.893 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -165.61 25.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.27 178.13 31.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 45.53 112.502 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 72.14 110.915 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 35.11 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.36 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.9 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -97.22 143.77 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 52.24 110.824 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.3 -173.82 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 40.32 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.85 -148.6 50.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 62.2 112.522 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.75 -20.96 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 71.03 110.833 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -81.31 -0.22 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.08 34.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 70.54 111.086 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.93 30.72 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.53 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.12 23.87 60.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 65.13 112.471 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.01 132.09 36.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 71.22 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -93.88 161.38 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.843 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.73 158.59 32.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 74.05 110.902 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 72.14 112.416 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.3 171.44 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.895 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.92 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.52 110.915 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.22 160.05 39.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 74.35 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.2 m -121.61 135.48 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.941 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -102.38 108.7 20.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 138.17 36.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 71.02 112.468 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -45.32 -30.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.332 . . . . 73.23 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -83.06 38.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 61.15 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.69 42.99 15.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 74.03 112.528 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -129.69 105.06 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.32 110.911 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 m -87.95 123.6 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.76 8.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 62.03 112.519 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.98 -174.58 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 74.22 110.81 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 159.32 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.511 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -16.95 61.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.785 0.326 . . . . 61.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.55 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 41.51 111.07 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -118.67 -17.96 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 71.14 110.935 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.7 m -89.77 -25.07 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 75.04 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 163.98 9.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.64 -0.791 . . . . 70.53 112.532 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.59 110.2 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 64.11 111.117 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.79 -25.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.753 . . . . 64.23 112.478 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -140.12 12.05 2.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.936 0.398 . . . . 64.13 110.855 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.86 134.19 34.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 53.31 110.924 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.22 -52.93 1.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.48 156.26 42.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.883 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.02 45.21 18.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 41.43 110.932 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.9 m -80.45 65.52 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 62.33 110.889 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.69 25.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.857 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.77 179.19 23.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.781 -0.723 . . . . 51.34 112.514 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 61.23 110.82 -179.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.695 0.283 . . . . 73.13 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.39 147.31 45.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.881 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -97.17 143.73 27.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.853 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.23 -173.84 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 63.52 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.86 -148.29 50.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.719 . . . . 35.13 112.433 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.64 -20.91 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 62.13 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.49 -0.07 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.11 34.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.069 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.48 30.78 20.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.883 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.18 22.89 62.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 74.43 112.519 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.92 136.5 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 54.33 111.132 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -97.85 161.53 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.76 158.62 31.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.63 0.729 . . . . 74.02 110.933 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -175.23 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 73.15 112.312 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -78.43 171.41 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 54.4 110.82 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.19 11.94 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 tp -134.14 160.14 38.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 64.44 110.905 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.69 135.57 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -102.63 108.83 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.1 138.16 36.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 63.54 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -30.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 64.41 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -82.96 37.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 51.23 110.956 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.87 42.93 15.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 61.11 112.479 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -129.72 105.12 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 62.1 110.94 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.93 123.6 32.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 60.04 110.849 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.17 -158.82 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.695 -0.764 . . . . 63.3 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.91 -174.53 3.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 73.22 110.832 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.62 159.39 4.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 62.04 112.486 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.41 -16.9 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.762 0.315 . . . . 54.2 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.8 -32.54 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -118.62 -17.95 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.899 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.92 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.843 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.95 163.95 9.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 63.2 112.482 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 110.41 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 53.5 111.063 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.6 -25.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.421 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -140.1 11.92 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 73.23 110.858 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.1 t -89.9 134.04 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.1 -52.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.34 110.934 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.49 156.22 42.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 53.11 110.871 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 58.1 45.24 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 52.53 110.89 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 80.9 m -80.47 65.53 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.13 110.939 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -165.73 25.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 72.33 110.869 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 179.05 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 33.15 112.494 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 72.41 110.886 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.672 0.272 . . . . 65.31 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 147.3 46.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -97.21 143.63 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 73.44 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.23 -174.26 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 42.43 110.889 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -149.3 51.05 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.749 -0.738 . . . . 34.15 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -58.71 -21.14 54.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 62.04 110.833 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -81.07 -0.42 39.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.963 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.01 34.56 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 71.14 111.134 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 58.24 30.25 19.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 64.24 110.795 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.15 25.6 57.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 74.43 112.457 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.47 131.99 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 33.02 111.06 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -93.13 159.94 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.888 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.84 158.53 32.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 52.43 110.848 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.29 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 42.23 112.406 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -78.58 171.5 15.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 71.03 110.883 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 11.94 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.19 159.5 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 72.21 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -121.71 135.53 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.84 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 107.87 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 51.15 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 138.36 39.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 40.11 112.484 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -31.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 72.03 110.829 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.7 38.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 73.41 110.904 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.28 14.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.737 . . . . 54.33 112.5 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -130.19 105.75 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 63.22 110.899 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 20.0 m -87.94 123.47 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 53.4 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 -158.66 8.05 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 62.25 112.518 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.67 -174.63 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 53.41 110.859 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.7 159.32 4.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 72.3 112.484 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -16.72 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 74.03 110.905 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -32.64 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.52 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.73 -18.1 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.965 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.79 -25.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 75.45 110.927 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.94 9.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 42.22 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 111.87 16.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 50.3 111.118 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.02 -24.76 0.55 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 74.32 112.531 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -140.06 11.86 2.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 60.55 110.871 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.8 134.73 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.82 -52.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 63.33 110.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.23 156.28 43.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 58.11 44.81 18.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.879 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.6 m -79.85 65.92 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -165.75 25.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.36 179.15 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 55.23 112.431 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 74.42 110.898 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.762 0.315 . . . . 44.3 111.082 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.33 147.33 45.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.83 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -97.25 143.67 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 64.34 110.893 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.26 -174.28 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 63.52 110.916 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.46 -148.83 51.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 44.14 112.464 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.74 -20.97 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 71.12 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.37 -0.12 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.899 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.05 34.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.142 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 30.46 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.04 24.24 60.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.848 -0.692 . . . . 61.21 112.456 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 136.96 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 74.42 111.112 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -97.62 160.25 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.91 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.77 158.54 32.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 75.35 110.895 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 71.44 112.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -78.42 171.39 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.907 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.22 12.01 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 63.53 110.867 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.24 159.48 40.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.938 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.73 135.53 54.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.894 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.3 t -101.27 108.08 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 34.31 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.2 138.38 38.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.804 -0.712 . . . . 53.14 112.432 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -31.06 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 71.13 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -82.71 38.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 64.44 110.956 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.48 43.26 14.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 75.23 112.458 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -130.09 105.69 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.374 . . . . 73.42 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 m -87.87 123.6 32.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.34 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.23 -158.81 8.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 73.1 112.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.61 -174.64 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 71.34 110.827 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.64 159.25 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 51.51 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.21 -16.71 61.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.365 . . . . 54.15 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.65 72.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.04 111.107 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -118.7 -18.15 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 60.13 110.864 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 m -89.9 -24.98 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 54.32 110.849 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.88 163.95 9.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.496 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.64 111.89 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 64.22 111.061 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.05 -24.81 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 50.21 112.412 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -140.08 11.97 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 63.51 110.904 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.0 t -89.87 134.74 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 64.14 110.854 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.79 -52.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 75.43 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.17 156.3 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 54.02 110.867 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 58.09 44.87 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.903 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.5 m -79.91 65.9 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.839 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.73 25.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.866 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 179.23 25.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.68 -0.771 . . . . 63.14 112.56 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 74.43 110.938 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 74.04 111.074 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.1 147.29 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 61.15 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.24 143.7 27.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.1 p -141.22 -174.22 3.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 63.44 110.93 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.2 -149.03 51.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.658 -0.782 . . . . 74.31 112.539 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.66 -21.07 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 74.14 110.871 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -81.2 -0.33 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 52.32 110.881 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.07 34.52 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 53.14 111.066 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 58.68 30.19 19.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.17 24.84 58.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 71.42 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 135.15 37.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 43.52 111.179 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -95.98 160.03 14.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 64.41 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.8 m -105.7 158.56 32.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 63.32 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -175.2 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 44.43 112.299 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.65 171.44 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.873 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.92 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 63.31 110.875 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.06 159.42 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 70.12 110.954 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.2 m -121.65 135.61 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -101.33 108.05 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.816 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 138.41 38.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 55.22 112.514 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -45.19 -31.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 63.53 110.87 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -82.73 38.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.899 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.46 43.19 14.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 50.21 112.496 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -130.11 105.75 8.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 75.1 110.831 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.316 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -87.92 123.6 32.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 72.1 110.866 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.78 8.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 64.11 112.495 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.6 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 65.22 110.855 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.59 159.35 4.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 74.14 112.544 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.28 -16.73 61.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 74.24 110.816 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.71 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 71.14 111.171 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.73 -18.09 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.21 110.915 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.84 -25.02 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.85 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.8 163.86 9.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 65.34 112.587 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.53 111.78 16.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 60.45 111.123 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.07 -24.67 0.54 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 70.14 112.504 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 t -140.19 12.0 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 71.45 110.883 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 t -89.9 134.65 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.882 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 -52.96 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.07 156.34 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 44.13 110.846 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 58.13 44.85 18.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.2 m -79.89 65.87 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.878 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.68 25.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.11 179.17 24.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 63.24 112.506 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 71.42 110.908 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.748 0.309 . . . . 63.2 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.32 147.3 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.947 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -97.32 143.68 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.785 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 4.0 p -141.24 -174.29 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 65.31 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.36 -149.14 51.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 73.11 112.436 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.68 -21.02 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 65.24 110.854 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -81.24 -0.24 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.949 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 34.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.7 30.24 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.855 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.09 24.93 58.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 65.23 112.459 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.54 135.44 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 31.44 111.092 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -96.18 159.85 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.843 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 m -105.72 158.53 32.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 71.32 110.887 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -175.2 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.669 2.246 . . . . 73.23 112.326 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -78.63 171.53 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.836 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.1 12.0 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.16 159.6 40.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.943 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -121.82 135.55 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.856 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.3 t -101.25 108.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.934 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.29 138.35 38.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 65.13 112.486 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -45.17 -30.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.702 0.287 . . . . 64.43 110.877 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -82.76 38.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 71.54 110.851 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.25 14.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 72.34 112.466 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -130.22 105.92 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 61.44 110.878 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.314 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 19.9 m -88.02 123.56 32.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.88 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.25 -158.84 8.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 62.22 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.4 -174.66 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 60.23 110.805 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.77 159.23 4.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 71.4 112.496 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -63.22 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 64.23 110.864 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.77 72.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 62.34 111.098 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -118.72 -18.01 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 65.31 110.936 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.88 -25.09 21.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.893 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.97 163.91 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 65.33 112.488 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 111.5 15.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 63.24 111.037 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.33 -24.7 0.52 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.759 . . . . 54.32 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -140.13 12.1 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 74.41 110.829 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.91 134.75 34.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 65.22 110.903 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.92 -52.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.911 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.18 156.33 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.806 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 58.06 44.72 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 74.14 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m -79.79 66.06 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.899 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.76 25.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 70.41 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.63 179.5 26.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 55.31 112.457 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.304 . . . . 61.31 110.878 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.714 0.293 . . . . 41.21 111.14 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 147.35 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.912 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.21 143.68 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.849 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -141.34 -173.95 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 72.14 110.852 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.73 -150.62 51.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 51.23 112.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -58.68 -20.6 49.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.723 0.297 . . . . 70.21 110.866 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.58 0.17 39.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.11 110.943 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.89 33.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 71.3 111.097 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 61.48 28.9 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.56 65.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 71.15 112.509 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.19 128.84 34.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 71.24 111.073 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -90.73 163.34 14.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 72.5 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 m -105.77 158.65 31.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 64.03 110.875 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.29 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 75.42 112.334 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -78.07 171.47 14.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.16 11.99 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 73.42 110.895 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 tp -134.5 160.36 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.95 135.34 54.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.922 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.5 t -102.64 108.44 19.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 52.41 110.877 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.77 138.14 37.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 73.45 112.454 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -45.23 -30.75 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 74.12 110.928 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -82.95 38.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 65.1 110.944 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.75 42.73 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 75.12 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -129.45 105.11 7.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.891 0.377 . . . . 72.51 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 m -87.95 123.64 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.87 8.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.832 -0.699 . . . . 74.12 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.95 -174.62 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 42.01 110.843 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.78 159.35 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 32.04 112.533 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -63.31 -17.09 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 73.23 110.859 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 35.04 111.119 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -118.7 -17.71 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.938 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -89.86 -24.93 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.86 163.89 9.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.7 -0.762 . . . . 34.34 112.525 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.7 110.74 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 64.23 111.092 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.96 -25.31 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 74.11 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 t -140.08 11.94 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 74.4 110.853 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.6 t -89.95 134.39 34.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.921 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -124.22 -52.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.935 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -127.68 155.72 43.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.825 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 58.19 46.31 16.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 64.13 110.949 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.7 m -81.16 65.23 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 62.11 110.867 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -165.67 25.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.882 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.29 178.96 21.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.735 . . . . 61.41 112.476 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 64.04 110.886 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.727 0.298 . . . . 71.0 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 147.35 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 73.34 110.868 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HE ' ' N ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -97.26 144.79 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.912 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 p -141.57 -174.37 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.45 -148.16 51.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 51.22 112.517 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.72 -20.97 53.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 73.31 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -81.69 0.13 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.871 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.09 33.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 61.23 111.119 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.32 30.48 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.01 110.874 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.61 60.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 74.01 112.482 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.68 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 71.31 111.077 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -98.27 160.81 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 m -105.72 158.52 32.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 52.41 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -175.26 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.645 2.23 . . . . 72.02 112.341 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.44 171.43 15.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t 66.14 11.97 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 61.21 110.858 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -134.16 159.33 41.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.93 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -121.46 135.49 55.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.929 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.53 108.18 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 138.33 38.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.553 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -45.0 -31.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.352 . . . . 71.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.87 38.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 43.35 14.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.11 112.487 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -129.81 105.21 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.958 0.409 . . . . 62.43 110.867 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 m -88.03 123.42 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.26 -158.63 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 52.53 112.539 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -133.6 -174.65 3.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 60.31 110.803 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.49 159.14 4.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 30.11 112.474 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -16.87 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 60.21 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.49 -32.71 71.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 62.32 111.091 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -118.89 -17.8 9.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.894 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.4 m -89.81 -24.82 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.807 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.77 163.86 9.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 74.02 112.547 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.56 113.72 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 74.45 111.093 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.97 -24.45 0.71 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.777 . . . . 24.31 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -140.13 12.14 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 70.15 110.842 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.5 t -89.86 134.78 34.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 62.14 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.03 -52.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.859 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -128.19 156.02 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.51 110.889 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 58.19 45.08 17.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.878 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.8 m -80.06 65.74 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.904 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -165.72 25.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 54.01 110.871 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.3 179.32 25.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 40.25 112.419 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 73.32 110.85 -179.813 . . . . . . . . 0 0 . 1 stop_ save_