data_6mzt_residue ############################ # Computer software used # ############################ 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 6mzt _Structure_validation_residue.Date_analyzed 2020-03-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.354 . . . . 71.35 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -84.4 125.17 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.146 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -68.92 133.52 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 75.55 110.933 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.6 p -165.01 -179.13 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.88 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -125.0 -53.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 63.32 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 -175.55 42.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 64.33 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -54.16 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 73.14 111.124 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -51.9 -43.58 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.9 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -51.29 -30.59 18.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.953 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.19 -38.48 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -54.37 -39.96 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 71.22 112.485 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -26.09 27.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 61.51 112.36 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.11 -32.63 73.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.82 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -40.49 66.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.924 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -57.58 -34.47 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.928 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.18 -45.77 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 p -137.23 121.46 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 74.11 111.216 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -44.58 -35.03 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 72.23 111.201 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.3 m -69.97 93.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.15 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -24.18 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.121 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -48.17 104.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.7 t -151.28 175.24 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 75.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -133.76 117.92 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.1 t -87.56 99.37 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.935 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -124.5 139.95 53.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.887 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 60.53 35.6 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.936 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.63 26.09 64.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 74.33 112.57 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -127.92 144.92 51.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.01 110.891 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 t -105.7 115.67 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.832 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -114.94 97.2 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.1 130.43 45.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.891 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -75.81 -35.5 60.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.887 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.19 168.58 38.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 71.14 112.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.1 m -86.11 116.15 24.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 75.53 110.823 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 75.02 111.185 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.763 0.315 . . . . 71.35 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.83 130.47 35.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 71.12 111.133 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -72.4 133.3 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 75.55 110.986 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.9 p -161.79 -176.2 5.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.941 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -125.37 -51.73 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.32 -173.19 31.18 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -54.08 6.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 73.14 111.16 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -51.91 -44.23 63.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -51.09 -31.0 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -83.3 -38.19 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.3 -40.2 67.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.952 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.35 1.91 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 71.22 112.555 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.65 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 61.51 112.377 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -67.08 -32.73 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -40.23 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 72.13 110.924 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -57.8 -34.58 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.859 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.91 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 p -137.34 121.7 18.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.144 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 p -44.55 -35.0 2.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.186 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.92 94.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 64.15 110.929 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -66.77 -24.4 66.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.179 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -48.2 104.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.879 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.8 t -151.01 173.85 13.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -131.15 117.93 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 75.1 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.45 103.18 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 71.23 110.877 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.89 139.49 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.89 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 62.46 35.58 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.35 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.37 26.21 63.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.452 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -127.58 143.12 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 74.01 110.89 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.1 t -105.59 118.79 37.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -119.25 97.35 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 m -62.04 134.34 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.876 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -80.51 -35.36 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 171.46 44.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.668 -0.777 . . . . 71.14 112.483 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.84 116.33 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 75.53 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 75.02 111.069 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.833 0.349 . . . . 71.35 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.23 124.48 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.12 111.155 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -69.9 137.49 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 75.55 110.894 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 p -165.69 -176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -124.92 -51.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.5 -174.58 37.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 64.33 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.42 -54.5 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 73.14 111.146 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -51.9 -42.97 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -51.38 -30.54 19.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.31 -38.59 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.851 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -54.31 -39.92 67.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.53 1.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 71.22 112.467 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -26.06 28.07 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.709 2.273 . . . . 61.51 112.346 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.869 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -40.55 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 72.13 110.92 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -57.72 -34.55 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.839 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -91.08 -45.68 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.828 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 p -137.13 121.22 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.186 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.41 -35.22 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 72.23 111.125 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.31 93.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.15 110.921 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -23.67 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.154 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -47.89 104.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -151.31 176.05 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -135.47 117.85 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.1 110.936 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.5 102.01 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 71.23 110.925 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -126.58 140.04 52.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.858 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 59.68 35.74 22.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.62 26.14 64.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 74.33 112.493 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -127.88 144.75 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 74.01 110.854 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.63 116.69 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.919 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -116.08 97.22 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.07 129.86 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -77.59 -35.43 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.956 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 176.21 50.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 71.14 112.427 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.69 117.86 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 75.53 110.911 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.02 111.153 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.741 0.305 . . . . 71.35 110.911 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -86.38 128.02 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.12 111.147 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -69.68 138.27 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.55 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 p -170.86 -175.85 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -128.08 -51.88 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.81 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.16 -177.19 42.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.98 -54.55 5.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 73.14 111.157 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -51.79 -43.64 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.838 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.56 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.93 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.25 -38.59 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -54.16 -40.04 67.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.932 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.46 -67.47 1.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 71.22 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.96 28.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 61.51 112.384 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.85 -32.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -40.67 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.846 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -57.61 -34.62 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.94 -45.62 8.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -137.29 121.24 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.2 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.2 p -44.48 -35.09 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.13 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.5 94.07 0.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 64.15 110.882 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -23.63 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.14 111.172 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -48.07 104.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.21 176.02 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -135.81 117.92 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.86 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.49 101.93 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.856 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -127.65 139.97 52.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.918 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t30 61.25 35.36 18.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.3 26.17 63.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.457 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -129.28 145.49 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 74.01 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 t -105.66 117.61 34.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.802 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -116.16 97.26 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.866 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.15 130.19 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.908 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.32 -35.39 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 74.15 110.955 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.77 176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.766 . . . . 71.14 112.496 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.74 116.68 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 75.53 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.02 111.163 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.764 0.316 . . . . 71.35 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.26 123.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 71.12 111.121 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -71.1 137.13 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.55 110.845 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.9 p -165.95 -178.19 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.903 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -122.89 -51.99 1.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.81 -174.34 36.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 64.33 112.473 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.28 -53.15 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 73.14 111.156 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -52.24 -43.05 64.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -51.14 -31.01 18.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.845 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 t -83.24 -38.53 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 72.32 110.837 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.38 -39.89 67.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.925 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.55 1.83 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.791 -0.719 . . . . 71.22 112.45 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -26.31 27.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.635 2.223 . . . . 61.51 112.291 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -65.3 -35.08 79.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.884 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.5 94.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 72.13 110.847 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -55.76 -51.87 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.885 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.85 -45.47 58.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.48 119.9 15.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.13 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.2 p -43.93 -35.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 72.23 111.147 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 m -70.25 97.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.15 110.947 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -24.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.117 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -48.01 105.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.93 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.0 t -150.78 174.54 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -133.23 117.94 18.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 75.1 110.884 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -89.32 102.84 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 71.23 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 ptm -126.46 140.0 52.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.965 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 61.7 35.72 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.35 110.933 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.11 26.09 65.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.697 -0.763 . . . . 74.33 112.484 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -128.36 149.92 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 74.01 110.879 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.1 t -105.59 118.42 36.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.89 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -121.09 97.19 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.1 m -62.13 154.45 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -98.72 -35.54 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.891 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.56 152.63 8.43 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.745 -0.74 . . . . 71.14 112.498 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -70.51 116.52 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 75.53 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 75.02 111.154 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.758 0.313 . . . . 71.35 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.66 124.45 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 71.12 111.18 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -70.08 137.86 51.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 75.55 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.6 p -166.4 -177.86 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.951 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -52.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.32 110.822 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.05 -175.07 39.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 64.33 112.451 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.43 -54.45 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.735 0.302 . . . . 73.14 111.172 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -52.02 -42.55 63.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 74.41 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -51.36 -30.61 19.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.31 -38.54 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 72.32 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.35 -39.9 67.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.898 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.47 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 71.22 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -26.15 28.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 61.51 112.375 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.89 -32.47 73.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.53 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 72.13 110.872 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -57.69 -34.48 69.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.951 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -91.12 -45.56 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.921 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.0 p -137.22 121.15 17.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.145 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 p -44.48 -35.1 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.119 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.7 m -70.57 93.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.15 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -22.97 66.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.155 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.08 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.842 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.77 176.08 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -135.88 117.93 15.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 75.1 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.61 100.78 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.907 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -125.34 140.06 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.828 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 t30 60.04 35.68 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.923 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.55 26.09 64.08 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.716 -0.754 . . . . 74.33 112.478 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -128.07 144.82 51.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.35 . . . . 74.01 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.63 116.83 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.924 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -115.97 97.13 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.895 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 m -62.1 131.17 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.952 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -80.52 -35.41 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.15 110.929 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.73 177.05 50.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 71.14 112.515 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.76 122.77 33.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 75.53 110.85 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.02 111.178 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.805 0.336 . . . . 71.35 110.872 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -86.09 128.71 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 71.12 111.124 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -69.66 133.95 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.901 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p -163.84 -175.94 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.924 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -127.0 -51.99 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.53 -174.97 37.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 64.33 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.57 -54.94 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 73.14 111.128 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -51.92 -43.29 63.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.5 -30.4 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 75.13 110.914 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.14 -38.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.916 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -54.32 -39.96 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.006 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 71.22 112.465 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -25.79 27.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 61.51 112.316 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.9 -32.63 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -40.5 66.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.927 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -57.65 -34.66 69.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.843 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.99 -45.62 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.885 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 p -137.27 121.17 17.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.134 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -44.16 -35.5 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 72.23 111.112 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.95 94.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 64.15 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -66.66 -23.82 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.152 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.2 104.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.882 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.93 176.11 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.0 110.818 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -136.14 117.94 15.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.889 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -85.58 102.98 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -122.91 139.8 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m120 55.24 34.75 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.47 26.08 70.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.449 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -124.87 143.19 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 74.01 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 t -105.64 112.62 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 65.24 110.926 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -112.32 97.3 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.11 126.92 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -75.08 -35.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.904 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 175.71 48.53 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 71.14 112.477 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.1 m -90.65 121.49 32.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 75.53 110.901 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 75.02 111.139 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 71.35 110.847 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.87 124.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.12 111.205 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -69.32 135.69 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.55 110.855 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p -168.9 -179.45 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -124.47 -53.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.891 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.06 -177.01 45.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 64.33 112.488 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.1 -54.19 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 73.14 111.103 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -51.86 -42.87 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.42 -30.65 20.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.893 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.32 -38.55 21.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -54.45 -39.67 67.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.973 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.53 1.85 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 71.22 112.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 -26.74 27.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 61.51 112.416 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.51 -35.06 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.838 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -41.43 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 72.13 110.878 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -55.82 -51.91 65.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.836 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -72.75 -45.52 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.43 119.72 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.106 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 p -44.04 -35.18 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.121 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -70.35 97.56 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 64.15 110.826 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.76 -24.11 66.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.124 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -47.98 105.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.0 t -151.37 175.1 12.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 75.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -133.87 117.93 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.892 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.86 101.36 13.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 71.23 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.9 ptm -124.83 139.93 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.957 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.0 35.81 18.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 74.35 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.13 26.1 65.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.503 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -127.8 148.88 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 74.01 110.957 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.1 t -105.54 117.41 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.24 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -119.85 97.24 5.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.963 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.16 153.07 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.953 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -98.49 -35.48 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.976 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.58 153.03 7.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 71.14 112.469 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.12 116.39 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 75.53 110.849 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.02 111.12 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 71.35 110.847 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.58 122.74 37.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 71.12 111.085 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -70.74 139.81 51.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 75.55 110.926 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 p -169.08 177.07 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.817 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -117.68 -53.67 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.838 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.5 -176.37 44.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.472 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -79.38 -54.9 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 73.14 111.14 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -39.86 59.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.876 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.51 -30.56 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.34 -39.0 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -54.38 -39.61 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.877 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.58 -67.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 71.22 112.455 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -26.88 26.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 61.51 112.324 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.5 -35.17 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.954 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -41.46 95.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.13 110.888 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.81 -51.84 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -72.86 -45.5 57.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 p -137.49 119.83 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 74.11 111.108 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -44.01 -35.1 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 72.23 111.144 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.83 96.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.15 110.802 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -23.94 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.105 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -47.91 105.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -152.58 173.16 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 75.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -132.86 118.04 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.04 102.82 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.814 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -125.37 139.79 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 m120 61.57 35.8 17.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.901 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.97 26.07 65.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.33 112.549 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -128.59 148.56 50.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 74.01 110.912 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.67 119.19 38.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 65.24 110.877 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -118.86 97.21 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.971 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.01 140.01 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -89.01 -35.7 16.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.944 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.69 169.82 43.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.748 . . . . 71.14 112.539 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.78 118.58 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 75.53 110.924 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 75.02 111.145 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.788 0.327 . . . . 71.35 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.32 124.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.076 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -71.59 134.82 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.946 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 p -162.77 -176.35 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -125.32 -51.78 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.25 -174.67 37.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 64.33 112.523 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -79.42 -55.3 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 73.14 111.227 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptp85 -51.76 -42.43 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -51.54 -30.33 20.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.884 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.18 -38.89 21.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.48 -39.59 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.915 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.57 1.83 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 71.22 112.493 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -27.03 27.01 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.758 2.305 . . . . 61.51 112.366 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.44 -35.26 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.36 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.13 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -51.81 66.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.964 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.97 -45.45 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -137.49 119.65 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.137 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -44.09 -35.03 1.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 72.23 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m -70.2 96.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 64.15 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.69 -23.95 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.74 105.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 73.14 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -152.21 176.04 12.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.35 117.99 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 75.1 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.78 102.46 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.868 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -126.02 137.96 53.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.846 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 61.2 35.55 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.56 26.14 64.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 74.33 112.511 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -126.6 147.04 49.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 74.01 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.61 118.19 35.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 65.24 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -120.31 97.4 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.927 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.7 m -62.12 142.24 57.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.784 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -88.77 -35.62 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.5 158.4 14.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 71.14 112.44 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.18 115.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 75.53 110.836 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.18 179.843 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.767 0.317 . . . . 71.35 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.1 123.79 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 71.12 111.146 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -70.62 136.42 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 75.55 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 p -164.97 -177.21 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.868 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -124.92 -52.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.873 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.45 -175.18 38.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 64.33 112.498 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.38 -54.32 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 73.14 111.174 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -51.92 -43.11 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -51.4 -30.48 19.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.933 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.19 -38.68 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.902 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.37 -39.81 67.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.891 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -67.5 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 71.22 112.49 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 61.51 112.313 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -65.22 -35.14 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.877 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.53 94.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -55.81 -51.87 65.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.876 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -72.74 -45.49 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.965 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.49 119.81 15.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.053 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -44.13 -35.04 2.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 72.23 111.151 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 m -70.5 97.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 64.15 110.834 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -23.86 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.157 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -48.06 105.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.841 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 t -151.45 175.44 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 117.99 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.1 110.823 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.85 101.31 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 71.23 110.831 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -124.9 139.99 53.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.892 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 59.82 35.75 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.949 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.09 26.16 65.38 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -128.09 147.14 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 74.01 110.858 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.8 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -115.12 97.33 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.913 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -61.98 134.97 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.906 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -87.03 -35.61 18.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 178.67 52.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 71.14 112.528 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 m -90.71 119.17 30.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 75.53 110.865 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.162 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.828 0.347 . . . . 71.35 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.29 124.54 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.141 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -71.1 135.66 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.929 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 p -163.41 -178.62 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.908 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -124.02 -52.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.832 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.99 -174.9 39.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.649 -0.786 . . . . 64.33 112.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.37 -55.28 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.736 0.303 . . . . 73.14 111.097 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -51.87 -42.35 62.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 74.41 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -51.53 -30.36 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.884 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.2 -38.83 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -54.35 -39.7 67.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.944 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.66 1.79 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 71.22 112.488 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -26.68 27.48 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.628 2.219 . . . . 61.51 112.333 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.19 -35.21 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.939 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -41.36 94.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -55.8 -51.92 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -72.79 -45.52 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.927 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.6 p -137.5 119.69 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.186 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -44.08 -35.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 72.23 111.108 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -70.56 97.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 64.15 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.62 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.158 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.92 105.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -152.01 176.09 11.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 117.98 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.1 110.864 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.16 101.16 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.872 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -124.48 140.0 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.908 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 59.24 35.62 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.872 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.59 26.3 64.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.33 112.48 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -127.09 146.87 50.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 74.01 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.6 t -105.71 117.55 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.24 110.83 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -118.11 97.2 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.905 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.95 134.84 57.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -86.59 -35.63 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.886 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.59 178.23 52.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 71.14 112.534 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -90.35 120.85 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 75.53 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.02 111.069 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.771 0.32 . . . . 71.35 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.38 124.52 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 71.12 111.1 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -69.82 133.27 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 75.55 110.906 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 p -161.48 179.29 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.852 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -123.77 -43.91 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.17 -174.14 25.31 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.767 -0.73 . . . . 64.33 112.416 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -54.58 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 73.14 111.137 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -44.33 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.858 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -51.29 -30.47 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 75.13 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.24 -38.56 22.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.841 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.4 -39.81 67.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.938 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.43 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 71.22 112.508 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.52 27.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 61.51 112.315 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -65.55 -35.07 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -41.49 94.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.875 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -55.8 -51.87 65.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.905 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.81 -45.47 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.913 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -137.42 119.7 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.11 111.176 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -43.99 -35.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.23 111.057 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.47 98.32 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.15 110.844 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -24.07 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.14 111.163 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -48.01 105.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.839 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -151.02 175.25 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -133.56 117.95 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.871 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.54 102.91 15.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 71.23 110.969 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -126.59 140.08 52.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.816 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 58.49 36.12 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.35 110.901 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.81 26.15 64.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 74.33 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -126.13 146.5 49.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.869 0.366 . . . . 74.01 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.61 116.21 31.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.922 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -117.14 97.33 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.893 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 m -62.16 142.95 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -93.38 -35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.946 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.11 175.79 50.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 71.14 112.504 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.2 m -90.77 118.55 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 75.53 110.917 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.126 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 71.35 110.797 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.7 129.31 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.12 111.169 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.49 142.28 51.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 75.55 110.884 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.8 p -167.85 177.41 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.918 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -118.65 -47.61 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.849 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.67 -170.09 23.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.473 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.41 -53.13 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 73.14 111.192 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -51.86 -44.47 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 74.41 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.29 -30.65 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.13 110.928 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.8 t -83.16 -38.53 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 72.32 110.853 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.31 -39.91 67.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.93 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.52 1.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 71.22 112.494 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.24 27.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.648 2.232 . . . . 61.51 112.378 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.96 -35.05 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -41.59 94.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 72.13 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -55.69 -51.88 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 74.43 110.903 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.82 -45.51 58.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.906 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.46 119.67 15.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.147 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -43.87 -35.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.122 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 m -70.75 99.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 64.15 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -66.67 -24.28 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.137 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.02 105.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.71 176.04 11.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 75.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -135.89 117.95 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 75.1 110.838 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.23 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.848 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptm -127.78 140.1 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.842 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 63.51 35.87 11.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.861 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.88 26.15 62.61 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 74.33 112.455 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -132.72 153.61 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 74.01 110.85 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.59 125.29 50.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.905 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.67 97.27 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.92 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.06 148.87 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.936 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -95.45 -35.73 11.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 154.01 10.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 71.14 112.47 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.67 121.12 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 75.53 110.861 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.02 111.131 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 71.35 110.812 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.37 124.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 71.12 111.152 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -69.32 137.08 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.55 110.907 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.3 p -168.22 -177.44 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.913 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -125.69 -52.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.874 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 -176.88 43.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 64.33 112.526 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -79.41 -54.76 5.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 73.14 111.233 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -51.83 -42.57 62.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -51.54 -30.34 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.948 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.22 -38.85 21.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.874 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -54.31 -39.71 67.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.935 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -67.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 71.22 112.494 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -26.82 26.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.752 2.301 . . . . 61.51 112.327 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.5 -35.09 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.915 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.49 95.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.13 110.937 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.69 -51.97 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -72.75 -45.61 57.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 p -137.46 119.84 15.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.163 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -44.14 -35.07 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 72.23 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 m -70.37 97.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 64.15 110.83 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.79 66.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.14 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -47.94 105.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.876 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 t -152.02 174.84 13.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -134.18 117.95 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 75.1 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -87.31 102.18 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 71.23 110.905 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -125.8 139.93 53.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.894 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 59.95 35.7 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.971 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.05 26.2 65.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 74.33 112.482 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -128.06 146.03 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 74.01 110.861 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -105.66 117.15 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 65.24 110.898 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -115.46 97.43 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.852 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.13 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.865 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.29 -35.77 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.954 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.28 176.91 49.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 71.14 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.8 m -90.74 118.86 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 75.53 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.02 111.128 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.818 0.342 . . . . 71.35 110.799 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.81 124.78 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 71.12 111.126 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -66.66 141.78 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 75.55 110.883 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.3 p -169.85 -178.66 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -124.66 -46.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 63.32 110.896 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.7 -171.21 22.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 64.33 112.489 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -51.68 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 73.14 111.182 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -52.05 -46.6 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.883 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -51.14 -30.95 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.844 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 t -83.05 -38.07 23.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.951 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.2 -40.32 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.43 110.961 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 71.22 112.43 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -25.65 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 61.51 112.349 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.58 -32.18 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.911 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -40.53 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 72.13 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -57.5 -34.95 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.86 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.72 -45.74 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 p -137.32 121.39 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.161 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.1 p -44.39 -35.02 2.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 72.23 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.58 96.18 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 64.15 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -66.78 -24.22 66.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.14 111.123 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -47.84 105.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -150.85 172.35 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -129.42 117.94 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.93 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t -90.79 98.54 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 71.23 110.929 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptp -124.4 139.89 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.51 35.72 14.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.43 26.12 63.85 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.479 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -127.11 148.3 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 74.01 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.54 115.27 29.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.97 97.21 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.933 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 m -62.85 154.59 29.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.86 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.32 -35.49 10.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.15 110.922 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.81 154.46 9.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 71.14 112.506 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.07 115.98 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 75.53 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 75.02 111.138 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.342 . . . . 71.35 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -83.22 124.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 71.12 111.109 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.43 138.61 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 75.55 110.889 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.7 p -169.54 -174.96 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.895 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -126.8 -51.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 63.32 110.82 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.12 -177.33 40.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 64.33 112.469 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -54.7 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.717 0.294 . . . . 73.14 111.077 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -51.71 -42.96 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.868 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -51.68 -30.07 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.928 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.5 t -83.1 -38.86 21.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.935 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.41 -39.65 67.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.6 -67.52 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 71.22 112.475 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.8 -27.08 26.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.27 . . . . 61.51 112.3 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.29 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.885 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -41.46 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 72.13 110.905 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -55.84 -51.94 65.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.825 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.72 -45.47 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.907 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -137.4 119.48 15.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.193 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -43.82 -35.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.23 111.151 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 m -70.37 98.03 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 64.15 110.873 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.71 -23.72 66.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.14 111.145 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -47.76 105.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.873 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -152.18 173.54 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.78 117.96 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.898 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.26 98.05 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.885 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -121.95 140.05 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.893 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 60.09 35.63 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.919 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.39 26.2 65.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.793 -0.718 . . . . 74.33 112.473 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -128.38 145.52 51.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 74.01 110.992 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 t -105.62 119.33 38.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 65.24 110.86 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -115.32 97.17 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.961 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.74 128.46 36.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.888 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -83.73 -35.65 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.69 179.46 47.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 71.14 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.6 m -90.67 123.06 33.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 75.53 110.885 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 75.02 111.1 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 71.35 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.02 124.51 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.137 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -69.53 137.79 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 75.55 110.917 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 p -168.43 -175.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -126.64 -51.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.773 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.38 -177.1 41.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.808 -0.71 . . . . 64.33 112.497 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -79.46 -55.12 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 73.14 111.164 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -51.69 -42.64 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.922 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -51.77 -29.92 20.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 75.13 110.909 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -83.11 -39.05 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.43 -39.5 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.918 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 71.22 112.517 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -27.19 27.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 61.51 112.31 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.56 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.47 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.842 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -55.86 -51.91 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.824 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.8 -45.46 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.11 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.6 p -137.48 119.69 15.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.148 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -44.27 -34.99 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 72.23 111.116 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.52 97.29 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 64.15 110.821 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -66.69 -23.19 66.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 73.14 111.158 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.86 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.908 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 t -152.48 175.04 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 75.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -134.46 117.95 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.901 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.37 100.73 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -124.84 140.03 53.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 74.11 110.841 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 59.85 35.8 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.89 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.06 26.21 65.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 74.33 112.495 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -128.26 144.99 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 74.01 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.67 116.68 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.24 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -113.85 97.28 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.21 134.51 56.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.933 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -88.46 -35.59 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.932 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.47 178.54 48.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 71.14 112.505 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.76 119.01 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 75.53 110.853 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 75.02 111.11 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.786 0.327 . . . . 71.35 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.35 124.14 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.12 111.112 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.39 138.06 51.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 75.55 110.943 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 p -167.06 -174.85 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -126.81 -51.1 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.856 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.88 -176.79 39.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 64.33 112.528 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -79.31 -55.19 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 73.14 111.092 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -51.78 -42.62 62.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.804 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -51.66 -30.05 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 75.13 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.2 -38.95 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.861 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.36 -39.59 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.979 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.7 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.72 -0.752 . . . . 71.22 112.525 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -26.75 27.23 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.621 2.214 . . . . 61.51 112.405 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.36 -35.12 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -41.41 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.907 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -55.86 -51.77 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 74.43 110.957 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -72.92 -45.44 58.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 p -137.46 119.63 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.213 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -44.19 -35.06 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 72.23 111.127 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.6 m -70.59 97.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.15 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -23.27 66.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.109 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.86 105.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -152.2 176.05 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -136.25 117.98 15.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 75.1 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.05 101.67 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.928 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -125.09 140.03 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.841 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 58.63 35.88 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.954 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 26.1 65.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 74.33 112.512 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -127.86 145.17 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 74.01 110.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.0 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.845 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -113.7 97.23 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.889 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.12 133.66 55.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.89 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -87.84 -35.8 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.933 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.42 49.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 71.14 112.442 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -90.75 116.08 28.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 75.53 110.795 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.02 111.124 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.779 0.323 . . . . 71.35 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.99 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.177 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -69.42 138.16 53.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.55 110.863 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 p -163.72 174.94 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -116.41 -45.55 2.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.69 -169.39 20.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.779 -0.724 . . . . 64.33 112.508 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.36 -53.21 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 73.14 111.099 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -51.9 -44.37 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -51.26 -30.51 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.968 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.14 -38.47 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -54.34 -40.0 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.86 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.42 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.696 -0.764 . . . . 71.22 112.526 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -26.51 27.6 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 61.51 112.356 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.89 -35.1 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.903 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -41.55 95.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.883 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -55.77 -51.89 65.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.886 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -72.81 -45.4 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.0 p -137.48 119.83 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.152 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.8 p -43.84 -35.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.135 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 m -70.45 98.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.15 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -24.51 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.14 111.161 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -48.15 104.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -149.51 176.0 11.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.94 117.85 15.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 75.1 110.928 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.96 103.19 14.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.2 140.19 53.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.76 38.41 24.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.868 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 26.24 62.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.33 112.455 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -130.44 150.39 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 74.01 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 t -103.53 125.49 50.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.865 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.73 97.19 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.888 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 m -62.1 142.63 57.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.929 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -88.47 -35.7 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.964 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.7 144.53 2.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 71.14 112.483 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.69 117.05 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 75.53 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 75.02 111.139 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.548 -0.221 . . . . 54.5 112.548 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -54.08 137.5 39.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.842 0.354 . . . . 71.35 110.849 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -84.4 125.17 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.146 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -68.92 133.52 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 75.55 110.933 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.6 p -165.01 -179.13 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.88 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -125.0 -53.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 63.32 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 -175.55 42.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 64.33 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -54.16 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 73.14 111.124 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -51.9 -43.58 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.9 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -51.29 -30.59 18.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.953 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.19 -38.48 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -54.37 -39.96 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 71.22 112.485 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -26.09 27.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 61.51 112.36 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.11 -32.63 73.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.82 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -40.49 66.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.924 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -57.58 -34.47 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.928 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.18 -45.77 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 p -137.23 121.46 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 74.11 111.216 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -44.58 -35.03 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 72.23 111.201 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.3 m -69.97 93.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.15 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -24.18 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.121 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -48.17 104.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.7 t -151.28 175.24 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 75.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -133.76 117.92 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.1 t -87.56 99.37 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.935 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -124.5 139.95 53.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.887 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 60.53 35.6 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.936 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.63 26.09 64.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 74.33 112.57 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -127.92 144.92 51.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.01 110.891 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 t -105.7 115.67 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.832 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -114.94 97.2 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.1 130.43 45.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.891 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -75.81 -35.5 60.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.887 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.19 168.58 38.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 71.14 112.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.1 m -86.11 116.15 24.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 75.53 110.823 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 75.02 111.185 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 54.5 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -55.81 137.89 49.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.315 . . . . 71.35 110.922 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.83 130.47 35.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 71.12 111.133 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -72.4 133.3 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 75.55 110.986 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.9 p -161.79 -176.2 5.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.941 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -125.37 -51.73 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.32 -173.19 31.18 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -54.08 6.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 73.14 111.16 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -51.91 -44.23 63.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -51.09 -31.0 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -83.3 -38.19 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.3 -40.2 67.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.952 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.35 1.91 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 71.22 112.555 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.65 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 61.51 112.377 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -67.08 -32.73 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -40.23 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 72.13 110.924 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -57.8 -34.58 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.859 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.91 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 p -137.34 121.7 18.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.144 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 p -44.55 -35.0 2.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.186 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.92 94.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 64.15 110.929 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -66.77 -24.4 66.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.179 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -48.2 104.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.879 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.8 t -151.01 173.85 13.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -131.15 117.93 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 75.1 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.45 103.18 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 71.23 110.877 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.89 139.49 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.89 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 62.46 35.58 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.35 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.37 26.21 63.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.452 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -127.58 143.12 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 74.01 110.89 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.1 t -105.59 118.79 37.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -119.25 97.35 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 m -62.04 134.34 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.876 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -80.51 -35.36 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 171.46 44.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.668 -0.777 . . . . 71.14 112.483 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.84 116.33 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 75.53 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 75.02 111.069 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.52 -0.232 . . . . 54.5 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.08 132.26 42.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 71.35 110.887 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.23 124.48 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.12 111.155 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -69.9 137.49 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 75.55 110.894 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 p -165.69 -176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -124.92 -51.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.5 -174.58 37.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 64.33 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.42 -54.5 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 73.14 111.146 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -51.9 -42.97 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -51.38 -30.54 19.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.31 -38.59 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.851 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -54.31 -39.92 67.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.53 1.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 71.22 112.467 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -26.06 28.07 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.709 2.273 . . . . 61.51 112.346 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.869 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -40.55 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 72.13 110.92 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -57.72 -34.55 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.839 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -91.08 -45.68 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.828 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 p -137.13 121.22 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.186 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.41 -35.22 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 72.23 111.125 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.31 93.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.15 110.921 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -23.67 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.154 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -47.89 104.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -151.31 176.05 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -135.47 117.85 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.1 110.936 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.5 102.01 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 71.23 110.925 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -126.58 140.04 52.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.858 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 59.68 35.74 22.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.62 26.14 64.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 74.33 112.493 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -127.88 144.75 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 74.01 110.854 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.63 116.69 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.919 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -116.08 97.22 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.07 129.86 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -77.59 -35.43 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.956 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 176.21 50.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 71.14 112.427 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.69 117.86 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 75.53 110.911 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.02 111.153 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.465 -0.254 . . . . 54.5 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.79 125.02 13.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 71.35 110.911 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -86.38 128.02 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.12 111.147 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -69.68 138.27 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.55 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 p -170.86 -175.85 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -128.08 -51.88 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.81 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.16 -177.19 42.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.98 -54.55 5.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 73.14 111.157 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -51.79 -43.64 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.838 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.56 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.93 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.25 -38.59 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -54.16 -40.04 67.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.932 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.46 -67.47 1.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 71.22 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.96 28.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 61.51 112.384 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.85 -32.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -40.67 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.846 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -57.61 -34.62 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.94 -45.62 8.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -137.29 121.24 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.2 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.2 p -44.48 -35.09 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.13 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.5 94.07 0.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 64.15 110.882 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -23.63 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.14 111.172 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -48.07 104.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.21 176.02 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -135.81 117.92 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.86 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.49 101.93 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.856 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -127.65 139.97 52.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.918 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t30 61.25 35.36 18.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.3 26.17 63.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.457 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -129.28 145.49 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 74.01 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 t -105.66 117.61 34.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.802 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -116.16 97.26 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.866 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.15 130.19 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.908 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.32 -35.39 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 74.15 110.955 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.77 176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.766 . . . . 71.14 112.496 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.74 116.68 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 75.53 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.02 111.163 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.499 -0.241 . . . . 54.5 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -84.44 144.47 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 71.35 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.26 123.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 71.12 111.121 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -71.1 137.13 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.55 110.845 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.9 p -165.95 -178.19 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.903 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -122.89 -51.99 1.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.81 -174.34 36.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 64.33 112.473 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.28 -53.15 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 73.14 111.156 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -52.24 -43.05 64.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -51.14 -31.01 18.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.845 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 t -83.24 -38.53 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 72.32 110.837 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.38 -39.89 67.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.925 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.55 1.83 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.791 -0.719 . . . . 71.22 112.45 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -26.31 27.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.635 2.223 . . . . 61.51 112.291 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -65.3 -35.08 79.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.884 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.5 94.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 72.13 110.847 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -55.76 -51.87 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.885 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.85 -45.47 58.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.48 119.9 15.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.13 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.2 p -43.93 -35.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 72.23 111.147 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 m -70.25 97.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.15 110.947 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -24.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.117 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -48.01 105.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.93 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.0 t -150.78 174.54 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -133.23 117.94 18.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 75.1 110.884 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -89.32 102.84 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 71.23 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 ptm -126.46 140.0 52.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.965 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 61.7 35.72 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.35 110.933 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.11 26.09 65.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.697 -0.763 . . . . 74.33 112.484 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -128.36 149.92 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 74.01 110.879 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.1 t -105.59 118.42 36.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.89 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -121.09 97.19 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.1 m -62.13 154.45 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -98.72 -35.54 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.891 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.56 152.63 8.43 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.745 -0.74 . . . . 71.14 112.498 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -70.51 116.52 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 75.53 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 75.02 111.154 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.529 -0.229 . . . . 54.5 112.529 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -81.2 143.71 32.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 71.35 110.87 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.66 124.45 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 71.12 111.18 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -70.08 137.86 51.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 75.55 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.6 p -166.4 -177.86 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.951 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -52.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.32 110.822 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.05 -175.07 39.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 64.33 112.451 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.43 -54.45 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.735 0.302 . . . . 73.14 111.172 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -52.02 -42.55 63.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 74.41 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -51.36 -30.61 19.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.31 -38.54 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 72.32 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.35 -39.9 67.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.898 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.47 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 71.22 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -26.15 28.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 61.51 112.375 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.89 -32.47 73.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.53 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 72.13 110.872 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -57.69 -34.48 69.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.951 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -91.12 -45.56 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.921 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.0 p -137.22 121.15 17.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.145 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 p -44.48 -35.1 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.119 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.7 m -70.57 93.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.15 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -22.97 66.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.155 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.08 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.842 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.77 176.08 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -135.88 117.93 15.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 75.1 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.61 100.78 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.907 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -125.34 140.06 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.828 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 t30 60.04 35.68 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.923 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.55 26.09 64.08 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.716 -0.754 . . . . 74.33 112.478 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -128.07 144.82 51.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.35 . . . . 74.01 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.63 116.83 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.924 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -115.97 97.13 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.895 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 m -62.1 131.17 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.952 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -80.52 -35.41 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.15 110.929 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.73 177.05 50.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 71.14 112.515 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.76 122.77 33.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 75.53 110.85 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.02 111.178 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.483 -0.247 . . . . 54.5 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.23 125.15 18.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.805 0.336 . . . . 71.35 110.872 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -86.09 128.71 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 71.12 111.124 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -69.66 133.95 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.901 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p -163.84 -175.94 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.924 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -127.0 -51.99 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.53 -174.97 37.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 64.33 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.57 -54.94 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 73.14 111.128 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -51.92 -43.29 63.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.5 -30.4 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 75.13 110.914 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.14 -38.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.916 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -54.32 -39.96 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.006 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 71.22 112.465 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -25.79 27.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 61.51 112.316 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.9 -32.63 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -40.5 66.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.927 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -57.65 -34.66 69.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.843 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.99 -45.62 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.885 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 p -137.27 121.17 17.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.134 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -44.16 -35.5 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 72.23 111.112 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.95 94.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 64.15 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -66.66 -23.82 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.152 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.2 104.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.882 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.93 176.11 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.0 110.818 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -136.14 117.94 15.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.889 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -85.58 102.98 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -122.91 139.8 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m120 55.24 34.75 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.47 26.08 70.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.449 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -124.87 143.19 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 74.01 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 t -105.64 112.62 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 65.24 110.926 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -112.32 97.3 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.11 126.92 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -75.08 -35.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.904 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 175.71 48.53 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 71.14 112.477 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.1 m -90.65 121.49 32.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 75.53 110.901 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 75.02 111.139 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.477 -0.249 . . . . 54.5 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.51 136.08 57.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 71.35 110.847 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.87 124.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.12 111.205 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -69.32 135.69 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.55 110.855 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p -168.9 -179.45 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -124.47 -53.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.891 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.06 -177.01 45.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 64.33 112.488 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.1 -54.19 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 73.14 111.103 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -51.86 -42.87 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.42 -30.65 20.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.893 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.32 -38.55 21.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -54.45 -39.67 67.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.973 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.53 1.85 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 71.22 112.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 -26.74 27.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 61.51 112.416 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.51 -35.06 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.838 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -41.43 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 72.13 110.878 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -55.82 -51.91 65.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.836 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -72.75 -45.52 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.43 119.72 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.106 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 p -44.04 -35.18 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.121 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -70.35 97.56 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 64.15 110.826 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.76 -24.11 66.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.124 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -47.98 105.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.0 t -151.37 175.1 12.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 75.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -133.87 117.93 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.892 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.86 101.36 13.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 71.23 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.9 ptm -124.83 139.93 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.957 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.0 35.81 18.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 74.35 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.13 26.1 65.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.503 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -127.8 148.88 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 74.01 110.957 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.1 t -105.54 117.41 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.24 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -119.85 97.24 5.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.963 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.16 153.07 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.953 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -98.49 -35.48 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.976 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.58 153.03 7.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 71.14 112.469 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.12 116.39 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 75.53 110.849 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.02 111.12 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.423 -0.271 . . . . 54.5 112.423 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.87 136.32 34.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 71.35 110.847 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.58 122.74 37.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 71.12 111.085 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -70.74 139.81 51.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 75.55 110.926 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 p -169.08 177.07 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.817 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -117.68 -53.67 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.838 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.5 -176.37 44.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.472 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -79.38 -54.9 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 73.14 111.14 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -39.86 59.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.876 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.51 -30.56 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.34 -39.0 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -54.38 -39.61 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.877 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.58 -67.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 71.22 112.455 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -26.88 26.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 61.51 112.324 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.5 -35.17 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.954 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -41.46 95.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.13 110.888 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.81 -51.84 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -72.86 -45.5 57.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 p -137.49 119.83 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 74.11 111.108 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -44.01 -35.1 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 72.23 111.144 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.83 96.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.15 110.802 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -23.94 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.105 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -47.91 105.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -152.58 173.16 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 75.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -132.86 118.04 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.04 102.82 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.814 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -125.37 139.79 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 m120 61.57 35.8 17.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.901 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.97 26.07 65.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.33 112.549 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -128.59 148.56 50.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 74.01 110.912 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.67 119.19 38.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 65.24 110.877 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -118.86 97.21 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.971 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.01 140.01 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -89.01 -35.7 16.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.944 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.69 169.82 43.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.748 . . . . 71.14 112.539 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.78 118.58 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 75.53 110.924 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 75.02 111.145 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.546 -0.222 . . . . 54.5 112.546 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.69 150.93 36.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.327 . . . . 71.35 110.898 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.32 124.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.076 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -71.59 134.82 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.946 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 p -162.77 -176.35 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -125.32 -51.78 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.25 -174.67 37.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 64.33 112.523 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -79.42 -55.3 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 73.14 111.227 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptp85 -51.76 -42.43 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -51.54 -30.33 20.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.884 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.18 -38.89 21.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.48 -39.59 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.915 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.57 1.83 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 71.22 112.493 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -27.03 27.01 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.758 2.305 . . . . 61.51 112.366 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.44 -35.26 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.36 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.13 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -51.81 66.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.964 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.97 -45.45 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -137.49 119.65 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.137 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -44.09 -35.03 1.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 72.23 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m -70.2 96.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 64.15 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.69 -23.95 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.74 105.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 73.14 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -152.21 176.04 12.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.35 117.99 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 75.1 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.78 102.46 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.868 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -126.02 137.96 53.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.846 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 61.2 35.55 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.56 26.14 64.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 74.33 112.511 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -126.6 147.04 49.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 74.01 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.61 118.19 35.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 65.24 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -120.31 97.4 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.927 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.7 m -62.12 142.24 57.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.784 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -88.77 -35.62 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.5 158.4 14.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 71.14 112.44 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.18 115.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 75.53 110.836 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.18 179.843 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.492 -0.243 . . . . 54.5 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -68.19 145.18 54.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.767 0.317 . . . . 71.35 110.881 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.1 123.79 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 71.12 111.146 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -70.62 136.42 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 75.55 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 p -164.97 -177.21 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.868 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -124.92 -52.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.873 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.45 -175.18 38.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 64.33 112.498 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.38 -54.32 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 73.14 111.174 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -51.92 -43.11 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -51.4 -30.48 19.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.933 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.19 -38.68 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.902 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.37 -39.81 67.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.891 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -67.5 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 71.22 112.49 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 61.51 112.313 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -65.22 -35.14 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.877 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.53 94.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -55.81 -51.87 65.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.876 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -72.74 -45.49 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.965 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.49 119.81 15.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.053 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -44.13 -35.04 2.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 72.23 111.151 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 m -70.5 97.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 64.15 110.834 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -23.86 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.157 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -48.06 105.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.841 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 t -151.45 175.44 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 117.99 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.1 110.823 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.85 101.31 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 71.23 110.831 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -124.9 139.99 53.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.892 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 59.82 35.75 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.949 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.09 26.16 65.38 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -128.09 147.14 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 74.01 110.858 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.8 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -115.12 97.33 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.913 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -61.98 134.97 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.906 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -87.03 -35.61 18.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 178.67 52.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 71.14 112.528 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 m -90.71 119.17 30.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 75.53 110.865 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.162 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.483 -0.247 . . . . 54.5 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -58.22 148.16 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 71.35 110.884 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.29 124.54 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.141 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -71.1 135.66 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.929 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 p -163.41 -178.62 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.908 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -124.02 -52.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.832 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.99 -174.9 39.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.649 -0.786 . . . . 64.33 112.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.37 -55.28 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.736 0.303 . . . . 73.14 111.097 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -51.87 -42.35 62.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 74.41 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -51.53 -30.36 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.884 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.2 -38.83 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -54.35 -39.7 67.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.944 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.66 1.79 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 71.22 112.488 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -26.68 27.48 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.628 2.219 . . . . 61.51 112.333 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.19 -35.21 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.939 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -41.36 94.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -55.8 -51.92 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -72.79 -45.52 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.927 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.6 p -137.5 119.69 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.186 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -44.08 -35.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 72.23 111.108 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -70.56 97.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 64.15 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.62 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.158 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.92 105.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -152.01 176.09 11.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 117.98 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.1 110.864 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.16 101.16 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.872 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -124.48 140.0 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.908 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 59.24 35.62 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.872 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.59 26.3 64.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.33 112.48 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -127.09 146.87 50.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 74.01 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.6 t -105.71 117.55 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.24 110.83 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -118.11 97.2 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.905 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.95 134.84 57.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -86.59 -35.63 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.886 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.59 178.23 52.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 71.14 112.534 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -90.35 120.85 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 75.53 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.02 111.069 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.479 -0.248 . . . . 54.5 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -81.61 145.52 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.771 0.32 . . . . 71.35 110.831 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.38 124.52 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 71.12 111.1 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -69.82 133.27 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 75.55 110.906 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 p -161.48 179.29 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.852 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -123.77 -43.91 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.17 -174.14 25.31 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.767 -0.73 . . . . 64.33 112.416 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -54.58 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 73.14 111.137 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -44.33 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.858 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -51.29 -30.47 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 75.13 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.24 -38.56 22.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.841 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.4 -39.81 67.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.938 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.43 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 71.22 112.508 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.52 27.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 61.51 112.315 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -65.55 -35.07 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -41.49 94.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.875 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -55.8 -51.87 65.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.905 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.81 -45.47 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.913 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -137.42 119.7 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.11 111.176 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -43.99 -35.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.23 111.057 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.47 98.32 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.15 110.844 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -24.07 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.14 111.163 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -48.01 105.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.839 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -151.02 175.25 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -133.56 117.95 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.871 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.54 102.91 15.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 71.23 110.969 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -126.59 140.08 52.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.816 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 58.49 36.12 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.35 110.901 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.81 26.15 64.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 74.33 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -126.13 146.5 49.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.869 0.366 . . . . 74.01 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.61 116.21 31.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.922 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -117.14 97.33 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.893 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 m -62.16 142.95 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -93.38 -35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.946 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.11 175.79 50.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 71.14 112.504 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.2 m -90.77 118.55 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 75.53 110.917 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.126 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.445 -0.262 . . . . 54.5 112.445 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -87.72 142.86 27.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 71.35 110.797 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.7 129.31 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.12 111.169 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.49 142.28 51.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 75.55 110.884 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.8 p -167.85 177.41 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.918 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -118.65 -47.61 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.849 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.67 -170.09 23.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.473 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.41 -53.13 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 73.14 111.192 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -51.86 -44.47 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 74.41 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.29 -30.65 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.13 110.928 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.8 t -83.16 -38.53 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 72.32 110.853 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.31 -39.91 67.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.93 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.52 1.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 71.22 112.494 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.24 27.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.648 2.232 . . . . 61.51 112.378 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.96 -35.05 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -41.59 94.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 72.13 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -55.69 -51.88 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 74.43 110.903 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.82 -45.51 58.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.906 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.46 119.67 15.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.147 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -43.87 -35.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.122 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 m -70.75 99.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 64.15 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -66.67 -24.28 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.137 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.02 105.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.71 176.04 11.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 75.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -135.89 117.95 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 75.1 110.838 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.23 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.848 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptm -127.78 140.1 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.842 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 63.51 35.87 11.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.861 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.88 26.15 62.61 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 74.33 112.455 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -132.72 153.61 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 74.01 110.85 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.59 125.29 50.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.905 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.67 97.27 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.92 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.06 148.87 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.936 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -95.45 -35.73 11.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 154.01 10.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 71.14 112.47 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.67 121.12 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 75.53 110.861 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.02 111.131 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.487 -0.245 . . . . 54.5 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -75.03 135.01 41.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.827 0.346 . . . . 71.35 110.812 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.37 124.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 71.12 111.152 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -69.32 137.08 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.55 110.907 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.3 p -168.22 -177.44 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.913 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -125.69 -52.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.874 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 -176.88 43.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 64.33 112.526 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -79.41 -54.76 5.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 73.14 111.233 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -51.83 -42.57 62.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -51.54 -30.34 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.948 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.22 -38.85 21.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.874 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -54.31 -39.71 67.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.935 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -67.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 71.22 112.494 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -26.82 26.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.752 2.301 . . . . 61.51 112.327 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.5 -35.09 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.915 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.49 95.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.13 110.937 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.69 -51.97 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -72.75 -45.61 57.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 p -137.46 119.84 15.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.163 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -44.14 -35.07 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 72.23 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 m -70.37 97.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 64.15 110.83 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.79 66.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.14 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -47.94 105.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.876 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 t -152.02 174.84 13.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -134.18 117.95 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 75.1 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -87.31 102.18 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 71.23 110.905 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -125.8 139.93 53.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.894 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 59.95 35.7 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.971 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.05 26.2 65.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 74.33 112.482 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -128.06 146.03 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 74.01 110.861 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -105.66 117.15 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 65.24 110.898 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -115.46 97.43 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.852 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.13 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.865 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.29 -35.77 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.954 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.28 176.91 49.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 71.14 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.8 m -90.74 118.86 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 75.53 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.02 111.128 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.473 -0.251 . . . . 54.5 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -86.36 142.9 28.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 71.35 110.799 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.81 124.78 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 71.12 111.126 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -66.66 141.78 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 75.55 110.883 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.3 p -169.85 -178.66 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -124.66 -46.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 63.32 110.896 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.7 -171.21 22.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 64.33 112.489 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -51.68 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 73.14 111.182 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -52.05 -46.6 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.883 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -51.14 -30.95 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.844 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 t -83.05 -38.07 23.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.951 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.2 -40.32 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.43 110.961 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 71.22 112.43 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -25.65 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 61.51 112.349 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.58 -32.18 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.911 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -40.53 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 72.13 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -57.5 -34.95 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.86 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.72 -45.74 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 p -137.32 121.39 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.161 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.1 p -44.39 -35.02 2.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 72.23 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.58 96.18 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 64.15 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -66.78 -24.22 66.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.14 111.123 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -47.84 105.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -150.85 172.35 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -129.42 117.94 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.93 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t -90.79 98.54 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 71.23 110.929 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptp -124.4 139.89 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.51 35.72 14.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.43 26.12 63.85 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.479 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -127.11 148.3 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 74.01 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.54 115.27 29.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.97 97.21 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.933 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 m -62.85 154.59 29.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.86 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.32 -35.49 10.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.15 110.922 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.81 154.46 9.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 71.14 112.506 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.07 115.98 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 75.53 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 75.02 111.138 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.532 -0.227 . . . . 54.5 112.532 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.11 126.39 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 71.35 110.886 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -83.22 124.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 71.12 111.109 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.43 138.61 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 75.55 110.889 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.7 p -169.54 -174.96 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.895 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -126.8 -51.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 63.32 110.82 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.12 -177.33 40.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 64.33 112.469 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -54.7 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.717 0.294 . . . . 73.14 111.077 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -51.71 -42.96 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.868 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -51.68 -30.07 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.928 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.5 t -83.1 -38.86 21.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.935 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.41 -39.65 67.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.6 -67.52 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 71.22 112.475 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.8 -27.08 26.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.27 . . . . 61.51 112.3 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.29 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.885 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -41.46 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 72.13 110.905 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -55.84 -51.94 65.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.825 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.72 -45.47 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.907 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -137.4 119.48 15.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.193 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -43.82 -35.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.23 111.151 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 m -70.37 98.03 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 64.15 110.873 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.71 -23.72 66.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.14 111.145 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -47.76 105.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.873 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -152.18 173.54 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.78 117.96 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.898 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.26 98.05 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.885 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -121.95 140.05 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.893 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 60.09 35.63 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.919 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.39 26.2 65.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.793 -0.718 . . . . 74.33 112.473 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -128.38 145.52 51.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 74.01 110.992 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 t -105.62 119.33 38.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 65.24 110.86 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -115.32 97.17 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.961 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.74 128.46 36.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.888 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -83.73 -35.65 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.69 179.46 47.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 71.14 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.6 m -90.67 123.06 33.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 75.53 110.885 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 75.02 111.1 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.486 -0.246 . . . . 54.5 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -66.66 143.5 56.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 71.35 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.02 124.51 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.137 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -69.53 137.79 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 75.55 110.917 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 p -168.43 -175.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -126.64 -51.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.773 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.38 -177.1 41.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.808 -0.71 . . . . 64.33 112.497 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -79.46 -55.12 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 73.14 111.164 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -51.69 -42.64 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.922 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -51.77 -29.92 20.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 75.13 110.909 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -83.11 -39.05 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.43 -39.5 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.918 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 71.22 112.517 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -27.19 27.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 61.51 112.31 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.56 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.47 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.842 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -55.86 -51.91 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.824 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.8 -45.46 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.11 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.6 p -137.48 119.69 15.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.148 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -44.27 -34.99 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 72.23 111.116 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.52 97.29 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 64.15 110.821 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -66.69 -23.19 66.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 73.14 111.158 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.86 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.908 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 t -152.48 175.04 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 75.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -134.46 117.95 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.901 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.37 100.73 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -124.84 140.03 53.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 74.11 110.841 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 59.85 35.8 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.89 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.06 26.21 65.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 74.33 112.495 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -128.26 144.99 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 74.01 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.67 116.68 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.24 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -113.85 97.28 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.21 134.51 56.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.933 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -88.46 -35.59 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.932 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.47 178.54 48.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 71.14 112.505 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.76 119.01 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 75.53 110.853 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 75.02 111.11 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.464 -0.254 . . . . 54.5 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.32 142.68 32.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 71.35 110.855 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.35 124.14 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.12 111.112 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.39 138.06 51.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 75.55 110.943 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 p -167.06 -174.85 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -126.81 -51.1 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.856 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.88 -176.79 39.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 64.33 112.528 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -79.31 -55.19 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 73.14 111.092 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -51.78 -42.62 62.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.804 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -51.66 -30.05 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 75.13 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.2 -38.95 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.861 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.36 -39.59 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.979 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.7 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.72 -0.752 . . . . 71.22 112.525 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -26.75 27.23 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.621 2.214 . . . . 61.51 112.405 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.36 -35.12 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -41.41 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.907 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -55.86 -51.77 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 74.43 110.957 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -72.92 -45.44 58.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 p -137.46 119.63 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.213 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -44.19 -35.06 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 72.23 111.127 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.6 m -70.59 97.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.15 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -23.27 66.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.109 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.86 105.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -152.2 176.05 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -136.25 117.98 15.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 75.1 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.05 101.67 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.928 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -125.09 140.03 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.841 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 58.63 35.88 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.954 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 26.1 65.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 74.33 112.512 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -127.86 145.17 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 74.01 110.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.0 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.845 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -113.7 97.23 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.889 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.12 133.66 55.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.89 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -87.84 -35.8 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.933 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.42 49.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 71.14 112.442 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -90.75 116.08 28.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 75.53 110.795 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.02 111.124 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.517 -0.233 . . . . 54.5 112.517 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.44 140.21 57.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 71.35 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mp -81.99 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.177 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -69.42 138.16 53.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.55 110.863 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 p -163.72 174.94 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -116.41 -45.55 2.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.69 -169.39 20.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.779 -0.724 . . . . 64.33 112.508 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.36 -53.21 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 73.14 111.099 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -51.9 -44.37 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -51.26 -30.51 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.968 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.14 -38.47 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -54.34 -40.0 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.86 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.42 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.696 -0.764 . . . . 71.22 112.526 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -26.51 27.6 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 61.51 112.356 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.89 -35.1 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.903 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -41.55 95.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.883 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -55.77 -51.89 65.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.886 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -72.81 -45.4 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.0 p -137.48 119.83 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.152 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.8 p -43.84 -35.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.135 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 m -70.45 98.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.15 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -24.51 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.14 111.161 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -48.15 104.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -149.51 176.0 11.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.94 117.85 15.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 75.1 110.928 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.96 103.19 14.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 71.23 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.2 140.19 53.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.76 38.41 24.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.868 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 26.24 62.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.33 112.455 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -130.44 150.39 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 74.01 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 t -103.53 125.49 50.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.865 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.73 97.19 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.888 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 m -62.1 142.63 57.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.929 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -88.47 -35.7 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.964 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.7 144.53 2.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 71.14 112.483 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.69 117.05 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 75.53 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 75.02 111.139 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.354 . . . . 71.35 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.489 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -84.4 125.17 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.02 111.146 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -68.92 133.52 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 60.33 110.933 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.6 p -165.01 -179.13 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.88 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -125.0 -53.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 63.32 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 -175.55 42.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 64.33 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -79.36 -54.16 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 73.14 111.124 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -51.9 -43.58 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.9 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -51.29 -30.59 18.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.953 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.19 -38.48 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.511 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.6 m0 -54.37 -39.96 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 73.05 110.936 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 71.22 112.485 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.78 -26.09 27.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 33.44 112.36 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.11 -32.63 73.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.82 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -72.46 -40.49 66.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.4 110.924 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -57.58 -34.47 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 63.43 110.928 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.18 -45.77 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 p -137.23 121.46 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 74.11 111.216 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -44.58 -35.03 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 61.25 111.201 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.3 m -69.97 93.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.75 -24.18 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.121 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -48.17 104.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.7 t -151.28 175.24 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 75.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -133.76 117.92 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.51 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.1 t -87.56 99.37 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 41.13 110.935 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -124.5 139.95 53.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.887 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 60.53 35.6 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.936 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.63 26.09 64.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 74.33 112.57 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -127.92 144.92 51.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.01 110.891 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 t -105.7 115.67 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.832 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -114.94 97.2 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.1 130.43 45.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.891 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -75.81 -35.5 60.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.887 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.19 168.58 38.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 60.11 112.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.1 m -86.11 116.15 24.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 75.53 110.823 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 53.23 111.185 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.763 0.315 . . . . 71.35 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.436 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.83 130.47 35.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 65.02 111.133 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -72.4 133.3 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 60.33 110.986 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.9 p -161.79 -176.2 5.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.941 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -125.37 -51.73 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.32 -173.19 31.18 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.546 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -77.4 -54.08 6.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 73.14 111.16 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -51.91 -44.23 63.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -51.09 -31.0 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.01 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -83.3 -38.19 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.546 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.3 -40.2 67.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.952 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.35 1.91 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 71.22 112.555 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.6 Cg_endo -69.77 -25.65 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 33.44 112.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -67.08 -32.73 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -72.4 -40.23 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.924 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -57.8 -34.58 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 63.43 110.859 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.91 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 p -137.34 121.7 18.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.144 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 p -44.55 -35.0 2.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 61.25 111.186 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.92 94.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.929 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.3 p -66.77 -24.4 66.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.179 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -48.2 104.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.879 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.8 t -151.01 173.85 13.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -131.15 117.93 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.51 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.45 103.18 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 41.13 110.877 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.89 139.49 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.89 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 62.46 35.58 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.35 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.37 26.21 63.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.452 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -127.58 143.12 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 74.01 110.89 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.1 t -105.59 118.79 37.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -119.25 97.35 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 m -62.04 134.34 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.876 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -80.51 -35.36 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 171.46 44.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.668 -0.777 . . . . 60.11 112.483 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.84 116.33 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 75.53 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 53.23 111.069 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.833 0.349 . . . . 71.35 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.23 124.48 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.02 111.155 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -69.9 137.49 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 60.33 110.894 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 p -165.69 -176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -124.92 -51.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.5 -174.58 37.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 64.33 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.492 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -79.42 -54.5 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 73.14 111.146 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -51.9 -42.97 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -51.38 -30.54 19.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.31 -38.59 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.851 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.492 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.31 -39.92 67.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 73.05 110.923 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.53 1.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 71.22 112.467 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.5 Cg_endo -69.74 -26.06 28.07 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.709 2.273 . . . . 33.44 112.346 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.869 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.54 -40.55 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 71.4 110.92 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -57.72 -34.55 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 63.43 110.839 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -91.08 -45.68 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.828 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 p -137.13 121.22 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.186 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.41 -35.22 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 61.25 111.125 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.31 93.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.921 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.61 -23.67 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.154 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -47.89 104.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -151.31 176.05 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -135.47 117.85 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 70.51 110.936 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.5 102.01 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 41.13 110.925 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -126.58 140.04 52.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 64.14 110.858 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 59.68 35.74 22.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.62 26.14 64.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 74.33 112.493 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -127.88 144.75 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 74.01 110.854 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.63 116.69 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.919 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -116.08 97.22 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.07 129.86 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -77.59 -35.43 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.956 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 176.21 50.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 60.11 112.427 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.69 117.86 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 75.53 110.911 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 53.23 111.153 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.741 0.305 . . . . 71.35 110.911 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.434 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -86.38 128.02 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 65.02 111.147 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -69.68 138.27 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 60.33 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 p -170.86 -175.85 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -128.08 -51.88 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.81 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.16 -177.19 42.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.534 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -78.98 -54.55 5.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 73.14 111.157 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -51.79 -43.64 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.838 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.56 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.93 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.25 -38.59 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 65.14 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.534 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.6 m0 -54.16 -40.04 67.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 73.05 110.932 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.46 -67.47 1.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 71.22 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.9 Cg_endo -69.77 -25.96 28.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 33.44 112.384 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.85 -32.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.53 -40.67 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.846 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -57.61 -34.62 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.94 -45.62 8.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -137.29 121.24 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.2 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.2 p -44.48 -35.09 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.25 111.13 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.5 94.07 0.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.882 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.459 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.66 -23.63 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.14 111.172 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -48.07 104.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.21 176.02 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -135.81 117.92 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 70.51 110.86 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.49 101.93 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 41.13 110.856 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -127.65 139.97 52.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.918 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t30 61.25 35.36 18.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.3 26.17 63.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.457 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -129.28 145.49 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 74.01 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 t -105.66 117.61 34.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.802 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -116.16 97.26 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.866 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.15 130.19 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.908 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.32 -35.39 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 74.15 110.955 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.77 176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.766 . . . . 60.11 112.496 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.74 116.68 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 75.53 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 53.23 111.163 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.764 0.316 . . . . 71.35 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.535 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.3 mp -81.26 123.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 65.02 111.121 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -71.1 137.13 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 60.33 110.845 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.9 p -165.95 -178.19 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.903 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -122.89 -51.99 1.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.81 -174.34 36.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 64.33 112.473 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.505 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -79.28 -53.15 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 73.14 111.156 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -52.24 -43.05 64.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -51.14 -31.01 18.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 t -83.24 -38.53 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 65.14 110.837 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.505 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.38 -39.89 67.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.925 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.55 1.83 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.791 -0.719 . . . . 71.22 112.45 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.2 Cg_endo -69.83 -26.31 27.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.635 2.223 . . . . 33.44 112.291 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -65.3 -35.08 79.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.884 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.5 94.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 71.4 110.847 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -55.76 -51.87 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 63.43 110.885 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.85 -45.47 58.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.48 119.9 15.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.13 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.2 p -43.93 -35.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 61.25 111.147 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 m -70.25 97.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.947 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -24.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.117 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -48.01 105.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.93 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.0 t -150.78 174.54 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -133.23 117.94 18.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 70.51 110.884 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -89.32 102.84 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 41.13 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 ptm -126.46 140.0 52.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.965 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 61.7 35.72 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.35 110.933 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.11 26.09 65.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.697 -0.763 . . . . 74.33 112.484 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -128.36 149.92 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 74.01 110.879 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.1 t -105.59 118.42 36.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.89 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -121.09 97.19 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.1 m -62.13 154.45 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -98.72 -35.54 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.891 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.56 152.63 8.43 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.745 -0.74 . . . . 60.11 112.498 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -70.51 116.52 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 75.53 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 53.23 111.154 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.758 0.313 . . . . 71.35 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.489 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.66 124.45 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 65.02 111.18 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -70.08 137.86 51.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 60.33 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.6 p -166.4 -177.86 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.951 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -52.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.32 110.822 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.05 -175.07 39.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 64.33 112.451 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.481 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -79.43 -54.45 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.735 0.302 . . . . 73.14 111.172 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -52.02 -42.55 63.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 74.41 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -51.36 -30.61 19.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.31 -38.54 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.14 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.481 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.35 -39.9 67.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 73.05 110.898 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.47 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 71.22 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.2 Cg_endo -69.73 -26.15 28.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 33.44 112.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.89 -32.47 73.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.66 -40.53 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.4 110.872 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -57.69 -34.48 69.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 63.43 110.951 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -91.12 -45.56 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.921 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.0 p -137.22 121.15 17.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.145 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 p -44.48 -35.1 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 61.25 111.119 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.7 m -70.57 93.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.14 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.47 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.65 -22.97 66.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.155 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.08 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.842 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.77 176.08 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -135.88 117.93 15.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 70.51 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.61 100.78 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 41.13 110.907 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -125.34 140.06 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.828 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 t30 60.04 35.68 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.923 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.55 26.09 64.08 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.716 -0.754 . . . . 74.33 112.478 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -128.07 144.82 51.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.35 . . . . 74.01 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.63 116.83 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.924 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -115.97 97.13 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.895 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 m -62.1 131.17 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.952 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -80.52 -35.41 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.15 110.929 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.73 177.05 50.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 60.11 112.515 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.76 122.77 33.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 75.53 110.85 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.23 111.178 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.805 0.336 . . . . 71.35 110.872 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.408 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.3 mp -86.09 128.71 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 65.02 111.124 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -69.66 133.95 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 60.33 110.901 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p -163.84 -175.94 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.924 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -127.0 -51.99 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.53 -174.97 37.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 64.33 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.494 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -78.57 -54.94 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 73.14 111.128 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -51.92 -43.29 63.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.5 -30.4 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 74.01 110.914 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.14 -38.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.494 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.5 m0 -54.32 -39.96 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.05 111.006 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 71.22 112.465 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.3 Cg_endo -69.82 -25.79 27.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 33.44 112.316 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.9 -32.63 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.62 -40.5 66.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.927 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -57.65 -34.66 69.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.843 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.99 -45.62 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.885 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 p -137.27 121.17 17.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.134 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -44.16 -35.5 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.25 111.112 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.95 94.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.3 p -66.66 -23.82 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.152 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.2 104.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.882 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.93 176.11 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.0 110.818 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -136.14 117.94 15.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 70.51 110.889 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -85.58 102.98 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 41.13 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -122.91 139.8 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.14 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m120 55.24 34.75 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.47 26.08 70.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.449 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -124.87 143.19 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 74.01 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 t -105.64 112.62 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 65.24 110.926 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -112.32 97.3 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.11 126.92 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -75.08 -35.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.904 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 175.71 48.53 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 60.11 112.477 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.1 m -90.65 121.49 32.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 75.53 110.901 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 53.23 111.139 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 71.35 110.847 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.527 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.87 124.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 65.02 111.205 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -69.32 135.69 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 60.33 110.855 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p -168.9 -179.45 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -124.47 -53.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.891 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.06 -177.01 45.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 64.33 112.488 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.498 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -79.1 -54.19 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 73.14 111.103 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -51.86 -42.87 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.42 -30.65 20.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.893 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.32 -38.55 21.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.498 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.2 m0 -54.45 -39.67 67.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 73.05 110.973 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.53 1.85 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 71.22 112.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.527 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.64 -26.74 27.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 33.44 112.416 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.51 -35.06 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.838 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -41.43 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.4 110.878 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -55.82 -51.91 65.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 63.43 110.836 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -72.75 -45.52 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.43 119.72 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.106 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 p -44.04 -35.18 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.121 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -70.35 97.56 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 64.14 110.826 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.76 -24.11 66.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.124 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -47.98 105.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.0 t -151.37 175.1 12.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 75.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -133.87 117.93 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 70.51 110.892 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.86 101.36 13.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 41.13 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.9 ptm -124.83 139.93 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.957 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.0 35.81 18.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 74.35 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.13 26.1 65.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.503 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -127.8 148.88 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 74.01 110.957 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.1 t -105.54 117.41 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.24 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -119.85 97.24 5.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.963 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.16 153.07 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.953 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -98.49 -35.48 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.976 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.58 153.03 7.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 60.11 112.469 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.12 116.39 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 75.53 110.849 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 53.23 111.12 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 71.35 110.847 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.549 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.2 mp -81.58 122.74 37.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 65.02 111.085 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -70.74 139.81 51.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 60.33 110.926 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 p -169.08 177.07 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.817 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -117.68 -53.67 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.838 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.5 -176.37 44.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.472 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.41 HG22 ' NE1' ' A' ' 12' ' ' TRP . 2.4 m -79.38 -54.9 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 73.14 111.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -39.86 59.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.876 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.51 -30.56 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.34 -39.0 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 65.14 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.41 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.38 -39.61 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.58 -67.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 71.22 112.455 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.549 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 Cg_endo -69.79 -26.88 26.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 33.44 112.324 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.5 -35.17 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.954 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.4 OUTLIER -65.06 -41.46 95.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.888 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.81 -51.84 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 63.43 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -72.86 -45.5 57.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 p -137.49 119.83 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 74.11 111.108 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -44.01 -35.1 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 61.25 111.144 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.83 96.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.14 110.802 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -66.75 -23.94 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.105 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -47.91 105.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -152.58 173.16 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 75.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -132.86 118.04 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 70.51 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.04 102.82 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 41.13 110.814 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -125.37 139.79 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.909 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 m120 61.57 35.8 17.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.901 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.97 26.07 65.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.33 112.549 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -128.59 148.56 50.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 74.01 110.912 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.67 119.19 38.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 65.24 110.877 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -118.86 97.21 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.971 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.01 140.01 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -89.01 -35.7 16.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.944 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.69 169.82 43.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.748 . . . . 60.11 112.539 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.78 118.58 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 75.53 110.924 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 53.23 111.145 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.788 0.327 . . . . 71.35 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.32 124.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.02 111.076 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -71.59 134.82 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.946 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 p -162.77 -176.35 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -125.32 -51.78 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.25 -174.67 37.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 64.33 112.523 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.466 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.1 m -79.42 -55.3 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 73.14 111.227 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptp85 -51.76 -42.43 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -51.54 -30.33 20.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.884 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.18 -38.89 21.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.466 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.48 -39.59 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.05 110.915 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.57 1.83 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 71.22 112.493 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.0 Cg_endo -69.75 -27.03 27.01 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.758 2.305 . . . . 33.44 112.366 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.44 -35.26 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.36 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 71.4 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -51.81 66.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.964 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.97 -45.45 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -137.49 119.65 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.137 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -44.09 -35.03 1.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 61.25 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m -70.2 96.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 64.14 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.69 -23.95 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.74 105.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 73.14 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -152.21 176.04 12.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.35 117.99 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.78 102.46 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 41.13 110.868 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -126.02 137.96 53.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 64.14 110.846 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 61.2 35.55 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.56 26.14 64.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 74.33 112.511 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -126.6 147.04 49.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 74.01 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.61 118.19 35.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 65.24 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -120.31 97.4 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.927 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.7 m -62.12 142.24 57.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.784 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -88.77 -35.62 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.5 158.4 14.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 60.11 112.44 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.18 115.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 75.53 110.836 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 53.23 111.18 179.843 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.767 0.317 . . . . 71.35 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.1 123.79 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 65.02 111.146 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -70.62 136.42 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 60.33 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 p -164.97 -177.21 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.868 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -124.92 -52.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.873 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.45 -175.18 38.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 64.33 112.498 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.496 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -79.38 -54.32 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 73.14 111.174 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -51.92 -43.11 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -51.4 -30.48 19.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 74.01 110.933 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.19 -38.68 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.14 110.902 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.496 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.37 -39.81 67.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.891 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -67.5 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 71.22 112.49 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.479 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 33.44 112.313 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -65.22 -35.14 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.877 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.53 94.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -55.81 -51.87 65.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.876 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -72.74 -45.49 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.965 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.49 119.81 15.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.053 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -44.13 -35.04 2.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 61.25 111.151 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 m -70.5 97.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.834 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -23.86 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.157 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -48.06 105.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.841 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 t -151.45 175.44 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 117.99 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 70.51 110.823 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.85 101.31 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 41.13 110.831 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -124.9 139.99 53.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.892 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 59.82 35.75 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.949 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.09 26.16 65.38 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -128.09 147.14 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 74.01 110.858 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.8 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -115.12 97.33 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.913 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -61.98 134.97 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.906 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -87.03 -35.61 18.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 178.67 52.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 60.11 112.528 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 m -90.71 119.17 30.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 75.53 110.865 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 53.23 111.162 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.828 0.347 . . . . 71.35 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 3' ' ' ILE . 5.3 mp -81.29 124.54 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.02 111.141 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -71.1 135.66 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 60.33 110.929 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 p -163.41 -178.62 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.908 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -124.02 -52.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.832 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.99 -174.9 39.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.649 -0.786 . . . . 64.33 112.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.443 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -79.37 -55.28 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.736 0.303 . . . . 73.14 111.097 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -51.87 -42.35 62.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 74.41 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -51.53 -30.36 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.884 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.2 -38.83 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 65.14 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.443 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.5 m0 -54.35 -39.7 67.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.66 1.79 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 71.22 112.488 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.0 Cg_endo -69.73 -26.68 27.48 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.628 2.219 . . . . 33.44 112.333 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.19 -35.21 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.939 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -41.36 94.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 71.4 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -55.8 -51.92 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 63.43 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -72.79 -45.52 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.927 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.6 p -137.5 119.69 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.186 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -44.08 -35.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 61.25 111.108 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -70.56 97.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 64.14 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.62 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.158 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.92 105.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -152.01 176.09 11.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 117.98 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 70.51 110.864 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.16 101.16 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 41.13 110.872 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -124.48 140.0 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 64.14 110.908 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 59.24 35.62 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.872 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.59 26.3 64.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.33 112.48 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -127.09 146.87 50.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 74.01 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.6 t -105.71 117.55 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.24 110.83 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -118.11 97.2 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.905 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.95 134.84 57.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -86.59 -35.63 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.886 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.59 178.23 52.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 60.11 112.534 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -90.35 120.85 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 75.53 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.069 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.771 0.32 . . . . 71.35 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.38 124.52 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 65.02 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -69.82 133.27 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 60.33 110.906 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 p -161.48 179.29 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.852 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -123.77 -43.91 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.17 -174.14 25.31 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.767 -0.73 . . . . 64.33 112.416 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.503 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -79.41 -54.58 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 73.14 111.137 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -44.33 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.858 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -51.29 -30.47 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.24 -38.56 22.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.841 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.503 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.4 -39.81 67.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.938 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.43 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 71.22 112.508 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.76 -26.52 27.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 33.44 112.315 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -65.55 -35.07 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -41.49 94.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.875 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -55.8 -51.87 65.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.905 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.81 -45.47 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.913 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -137.42 119.7 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.11 111.176 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -43.99 -35.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.25 111.057 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.47 98.32 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.14 110.844 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -24.07 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.14 111.163 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -48.01 105.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.839 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -151.02 175.25 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -133.56 117.95 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 70.51 110.871 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.54 102.91 15.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 41.13 110.969 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -126.59 140.08 52.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.816 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 58.49 36.12 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.35 110.901 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.81 26.15 64.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 74.33 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -126.13 146.5 49.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.869 0.366 . . . . 74.01 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.61 116.21 31.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.922 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -117.14 97.33 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.893 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 m -62.16 142.95 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -93.38 -35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.946 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.11 175.79 50.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 60.11 112.504 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.2 m -90.77 118.55 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 75.53 110.917 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 53.23 111.126 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 71.35 110.797 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 3' ' ' ILE . 5.3 mp -81.7 129.31 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 65.02 111.169 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.49 142.28 51.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 60.33 110.884 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.8 p -167.85 177.41 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.918 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -118.65 -47.61 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.849 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.67 -170.09 23.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.473 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.56 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -79.41 -53.13 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 73.14 111.192 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -51.86 -44.47 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 74.41 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.29 -30.65 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.928 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.8 t -83.16 -38.53 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 65.14 110.853 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.56 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.31 -39.91 67.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.52 1.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 71.22 112.494 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.77 -26.24 27.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.648 2.232 . . . . 33.44 112.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.96 -35.05 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -41.59 94.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 71.4 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -55.69 -51.88 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 63.43 110.903 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.82 -45.51 58.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.906 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.46 119.67 15.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.147 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -43.87 -35.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 61.25 111.122 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 m -70.75 99.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 64.14 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -66.67 -24.28 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.137 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.02 105.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.71 176.04 11.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 75.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -135.89 117.95 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.838 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.23 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 41.13 110.848 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptm -127.78 140.1 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 64.14 110.842 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 63.51 35.87 11.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.861 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.88 26.15 62.61 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 74.33 112.455 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -132.72 153.61 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 74.01 110.85 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.59 125.29 50.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.905 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.67 97.27 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.92 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.06 148.87 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.936 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -95.45 -35.73 11.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 154.01 10.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 60.11 112.47 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.67 121.12 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 75.53 110.861 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 53.23 111.131 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 71.35 110.812 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.497 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.37 124.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 65.02 111.152 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -69.32 137.08 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 60.33 110.907 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.3 p -168.22 -177.44 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.913 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -125.69 -52.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.874 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 -176.88 43.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 64.33 112.526 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.487 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.2 m -79.41 -54.76 5.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 73.14 111.233 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -51.83 -42.57 62.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -51.54 -30.34 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.948 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.22 -38.85 21.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.874 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.487 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.2 m0 -54.31 -39.71 67.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 73.05 110.935 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -67.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 71.22 112.494 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 Cg_endo -69.83 -26.82 26.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.752 2.301 . . . . 33.44 112.327 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.5 -35.09 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.915 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.49 95.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 71.4 110.937 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.69 -51.97 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -72.75 -45.61 57.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 p -137.46 119.84 15.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.163 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -44.14 -35.07 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 61.25 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 m -70.37 97.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 64.14 110.83 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.79 66.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.14 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -47.94 105.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.876 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 t -152.02 174.84 13.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -134.18 117.95 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 70.51 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -87.31 102.18 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 41.13 110.905 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -125.8 139.93 53.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.894 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 59.95 35.7 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.971 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.05 26.2 65.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 74.33 112.482 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -128.06 146.03 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 74.01 110.861 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -105.66 117.15 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 65.24 110.898 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -115.46 97.43 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.852 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.13 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.865 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.29 -35.77 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.954 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.28 176.91 49.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 60.11 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.8 m -90.74 118.86 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 75.53 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 53.23 111.128 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.818 0.342 . . . . 71.35 110.799 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.497 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.81 124.78 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 65.02 111.126 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -66.66 141.78 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 60.33 110.883 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.3 p -169.85 -178.66 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -124.66 -46.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 63.32 110.896 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.7 -171.21 22.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 64.33 112.489 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -51.68 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 73.14 111.182 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -52.05 -46.6 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.883 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -51.14 -30.95 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.844 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 t -83.05 -38.07 23.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 65.14 110.951 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.2 -40.32 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 73.05 110.961 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 71.22 112.43 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.2 Cg_endo -69.74 -25.65 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 33.44 112.349 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.58 -32.18 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.911 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -40.53 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 71.4 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -57.5 -34.95 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 63.43 110.86 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.72 -45.74 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 p -137.32 121.39 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.161 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.1 p -44.39 -35.02 2.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 61.25 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.58 96.18 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -66.78 -24.22 66.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.14 111.123 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -47.84 105.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -150.85 172.35 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -129.42 117.94 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 70.51 110.93 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t -90.79 98.54 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 41.13 110.929 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptp -124.4 139.89 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.51 35.72 14.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.43 26.12 63.85 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.479 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -127.11 148.3 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 74.01 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.54 115.27 29.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.97 97.21 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.933 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 m -62.85 154.59 29.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.86 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.32 -35.49 10.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.15 110.922 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.81 154.46 9.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 60.11 112.506 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.07 115.98 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 75.53 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 53.23 111.138 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.342 . . . . 71.35 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.506 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -83.22 124.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.02 111.109 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.43 138.61 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 60.33 110.889 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.7 p -169.54 -174.96 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.895 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -126.8 -51.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 63.32 110.82 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.12 -177.33 40.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 64.33 112.469 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.474 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -79.38 -54.7 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.717 0.294 . . . . 73.14 111.077 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -51.71 -42.96 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.868 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -51.68 -30.07 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.928 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.5 t -83.1 -38.86 21.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.935 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.474 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.41 -39.65 67.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.05 110.88 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.6 -67.52 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 71.22 112.475 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HG3' HG21 ' A' ' 3' ' ' ILE . 52.4 Cg_endo -69.8 -27.08 26.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.27 . . . . 33.44 112.3 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.29 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.885 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -41.46 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.905 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -55.84 -51.94 65.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.825 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.72 -45.47 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.907 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -137.4 119.48 15.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.193 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -43.82 -35.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.151 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 m -70.37 98.03 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 64.14 110.873 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.71 -23.72 66.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.14 111.145 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -47.76 105.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.873 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -152.18 173.54 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.78 117.96 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.51 110.898 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.26 98.05 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 41.13 110.885 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -121.95 140.05 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.893 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 60.09 35.63 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.919 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.39 26.2 65.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.793 -0.718 . . . . 74.33 112.473 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -128.38 145.52 51.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 74.01 110.992 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 t -105.62 119.33 38.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 65.24 110.86 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -115.32 97.17 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.961 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.74 128.46 36.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.888 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -83.73 -35.65 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.69 179.46 47.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 60.11 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.6 m -90.67 123.06 33.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 75.53 110.885 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 53.23 111.1 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 71.35 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.491 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.02 124.51 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 65.02 111.137 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -69.53 137.79 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 60.33 110.917 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 p -168.43 -175.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -126.64 -51.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.773 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.38 -177.1 41.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.808 -0.71 . . . . 64.33 112.497 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.472 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.3 m -79.46 -55.12 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 73.14 111.164 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -51.69 -42.64 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.922 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -51.77 -29.92 20.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 74.01 110.909 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -83.11 -39.05 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 65.14 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.472 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.43 -39.5 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.918 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 71.22 112.517 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.67 -27.19 27.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 33.44 112.31 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.56 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.47 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.842 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -55.86 -51.91 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 63.43 110.824 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.8 -45.46 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.11 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.6 p -137.48 119.69 15.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.148 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -44.27 -34.99 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 61.25 111.116 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.52 97.29 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.821 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -66.69 -23.19 66.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 73.14 111.158 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.86 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.908 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 t -152.48 175.04 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 75.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -134.46 117.95 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 70.51 110.901 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.37 100.73 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 41.13 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -124.84 140.03 53.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 64.14 110.841 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 59.85 35.8 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.89 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.06 26.21 65.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 74.33 112.495 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -128.26 144.99 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 74.01 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.67 116.68 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.24 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -113.85 97.28 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.21 134.51 56.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.933 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -88.46 -35.59 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.932 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.47 178.54 48.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 60.11 112.505 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.76 119.01 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 75.53 110.853 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 53.23 111.11 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.786 0.327 . . . . 71.35 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.484 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.35 124.14 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 65.02 111.112 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.39 138.06 51.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 60.33 110.943 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 p -167.06 -174.85 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -126.81 -51.1 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.856 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.88 -176.79 39.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 64.33 112.528 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.447 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.1 m -79.31 -55.19 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 73.14 111.092 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -51.78 -42.62 62.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.804 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -51.66 -30.05 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.2 -38.95 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.861 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.447 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.36 -39.59 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.7 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.72 -0.752 . . . . 71.22 112.525 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.484 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.77 -26.75 27.23 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.621 2.214 . . . . 33.44 112.405 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.36 -35.12 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -41.41 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.907 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -55.86 -51.77 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 63.43 110.957 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -72.92 -45.44 58.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 p -137.46 119.63 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.213 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -44.19 -35.06 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 61.25 111.127 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.6 m -70.59 97.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.14 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -23.27 66.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.109 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.86 105.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -152.2 176.05 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -136.25 117.98 15.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 70.51 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.05 101.67 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 41.13 110.928 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -125.09 140.03 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.841 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 58.63 35.88 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.954 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 26.1 65.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 74.33 112.512 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -127.86 145.17 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 74.01 110.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.0 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.845 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -113.7 97.23 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.889 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.12 133.66 55.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.89 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -87.84 -35.8 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.933 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.42 49.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 60.11 112.442 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -90.75 116.08 28.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 75.53 110.795 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.23 111.124 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.779 0.323 . . . . 71.35 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.457 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.99 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 65.02 111.177 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -69.42 138.16 53.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.33 110.863 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 p -163.72 174.94 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -116.41 -45.55 2.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.69 -169.39 20.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.779 -0.724 . . . . 64.33 112.508 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.51 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.36 -53.21 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 73.14 111.099 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -51.9 -44.37 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -51.26 -30.51 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.968 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.14 -38.47 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.14 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.51 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.34 -40.0 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 73.05 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.42 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.696 -0.764 . . . . 71.22 112.526 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.457 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.74 -26.51 27.6 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 33.44 112.356 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.89 -35.1 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.903 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -41.55 95.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.883 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -55.77 -51.89 65.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 63.43 110.886 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -72.81 -45.4 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.0 p -137.48 119.83 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.152 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.8 p -43.84 -35.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 61.25 111.135 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 m -70.45 98.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -24.51 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.14 111.161 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -48.15 104.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -149.51 176.0 11.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.94 117.85 15.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 70.51 110.928 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.96 103.19 14.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 41.13 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.2 140.19 53.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.76 38.41 24.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.868 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 26.24 62.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.33 112.455 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -130.44 150.39 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 74.01 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 t -103.53 125.49 50.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.865 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.73 97.19 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.888 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 m -62.1 142.63 57.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.929 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -88.47 -35.7 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.964 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 37' ' ' VAL . . . 78.7 144.53 2.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 60.11 112.483 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.69 117.05 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 75.53 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 35' ' ' GLY . 34.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 53.23 111.139 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.548 -0.221 . . . . 54.5 112.548 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -54.08 137.5 39.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.842 0.354 . . . . 71.35 110.849 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.489 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -84.4 125.17 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.02 111.146 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -68.92 133.52 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 60.33 110.933 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.6 p -165.01 -179.13 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.88 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -125.0 -53.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 63.32 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 -175.55 42.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 64.33 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -79.36 -54.16 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 73.14 111.124 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -51.9 -43.58 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.9 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -51.29 -30.59 18.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.953 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.19 -38.48 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.511 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.6 m0 -54.37 -39.96 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 73.05 110.936 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 71.22 112.485 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.78 -26.09 27.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 33.44 112.36 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.11 -32.63 73.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.82 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -72.46 -40.49 66.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.4 110.924 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -57.58 -34.47 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 63.43 110.928 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.18 -45.77 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 p -137.23 121.46 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 74.11 111.216 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -44.58 -35.03 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 61.25 111.201 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.3 m -69.97 93.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.75 -24.18 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.121 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -48.17 104.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.7 t -151.28 175.24 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 75.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -133.76 117.92 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.51 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.1 t -87.56 99.37 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 41.13 110.935 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -124.5 139.95 53.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.887 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 60.53 35.6 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.936 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.63 26.09 64.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 74.33 112.57 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -127.92 144.92 51.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.01 110.891 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 t -105.7 115.67 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.832 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -114.94 97.2 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.1 130.43 45.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.891 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -75.81 -35.5 60.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.887 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.19 168.58 38.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 60.11 112.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.1 m -86.11 116.15 24.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 75.53 110.823 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 53.23 111.185 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 54.5 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -55.81 137.89 49.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.315 . . . . 71.35 110.922 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.436 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.83 130.47 35.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 65.02 111.133 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -72.4 133.3 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 60.33 110.986 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.9 p -161.79 -176.2 5.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.941 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -125.37 -51.73 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.32 -173.19 31.18 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.546 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -77.4 -54.08 6.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 73.14 111.16 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -51.91 -44.23 63.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -51.09 -31.0 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.01 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -83.3 -38.19 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.546 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.3 -40.2 67.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.952 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.35 1.91 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 71.22 112.555 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.6 Cg_endo -69.77 -25.65 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 33.44 112.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -67.08 -32.73 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -72.4 -40.23 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.924 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -57.8 -34.58 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 63.43 110.859 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.91 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 p -137.34 121.7 18.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.144 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 p -44.55 -35.0 2.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 61.25 111.186 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.92 94.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.929 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.3 p -66.77 -24.4 66.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.179 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -48.2 104.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.879 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.8 t -151.01 173.85 13.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -131.15 117.93 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.51 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.45 103.18 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 41.13 110.877 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.89 139.49 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.89 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 62.46 35.58 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.35 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.37 26.21 63.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.452 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -127.58 143.12 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 74.01 110.89 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.1 t -105.59 118.79 37.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -119.25 97.35 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 m -62.04 134.34 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.876 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -80.51 -35.36 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 171.46 44.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.668 -0.777 . . . . 60.11 112.483 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.84 116.33 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 75.53 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 53.23 111.069 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.52 -0.232 . . . . 54.5 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.08 132.26 42.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 71.35 110.887 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.23 124.48 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.02 111.155 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -69.9 137.49 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 60.33 110.894 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 p -165.69 -176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -124.92 -51.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.5 -174.58 37.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 64.33 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.492 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -79.42 -54.5 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 73.14 111.146 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -51.9 -42.97 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -51.38 -30.54 19.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.31 -38.59 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.851 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.492 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.31 -39.92 67.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 73.05 110.923 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.53 1.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 71.22 112.467 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.5 Cg_endo -69.74 -26.06 28.07 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.709 2.273 . . . . 33.44 112.346 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.869 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.54 -40.55 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 71.4 110.92 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -57.72 -34.55 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 63.43 110.839 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -91.08 -45.68 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.828 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 p -137.13 121.22 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.186 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.41 -35.22 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 61.25 111.125 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.31 93.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.921 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.61 -23.67 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.154 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -47.89 104.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -151.31 176.05 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -135.47 117.85 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 70.51 110.936 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.5 102.01 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 41.13 110.925 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -126.58 140.04 52.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 64.14 110.858 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 59.68 35.74 22.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.62 26.14 64.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 74.33 112.493 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -127.88 144.75 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 74.01 110.854 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.63 116.69 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.919 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -116.08 97.22 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.07 129.86 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -77.59 -35.43 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.956 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 176.21 50.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 60.11 112.427 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.69 117.86 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 75.53 110.911 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 53.23 111.153 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.465 -0.254 . . . . 54.5 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.79 125.02 13.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 71.35 110.911 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.434 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -86.38 128.02 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 65.02 111.147 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -69.68 138.27 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 60.33 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 p -170.86 -175.85 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -128.08 -51.88 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.81 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.16 -177.19 42.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.534 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -78.98 -54.55 5.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 73.14 111.157 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -51.79 -43.64 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.838 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.56 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.93 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.25 -38.59 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 65.14 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.534 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.6 m0 -54.16 -40.04 67.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 73.05 110.932 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.46 -67.47 1.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 71.22 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.9 Cg_endo -69.77 -25.96 28.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 33.44 112.384 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.85 -32.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.53 -40.67 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.846 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -57.61 -34.62 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.94 -45.62 8.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -137.29 121.24 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.2 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.2 p -44.48 -35.09 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.25 111.13 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.5 94.07 0.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.882 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.459 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.66 -23.63 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.14 111.172 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -48.07 104.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.21 176.02 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -135.81 117.92 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 70.51 110.86 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.49 101.93 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 41.13 110.856 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -127.65 139.97 52.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.918 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t30 61.25 35.36 18.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.3 26.17 63.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.457 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -129.28 145.49 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 74.01 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 t -105.66 117.61 34.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.802 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -116.16 97.26 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.866 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.15 130.19 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.908 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.32 -35.39 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 74.15 110.955 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.77 176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.766 . . . . 60.11 112.496 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.74 116.68 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 75.53 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 53.23 111.163 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.499 -0.241 . . . . 54.5 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -84.44 144.47 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 71.35 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.535 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.3 mp -81.26 123.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 65.02 111.121 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -71.1 137.13 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 60.33 110.845 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.9 p -165.95 -178.19 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.903 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -122.89 -51.99 1.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.81 -174.34 36.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 64.33 112.473 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.505 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -79.28 -53.15 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 73.14 111.156 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -52.24 -43.05 64.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -51.14 -31.01 18.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 t -83.24 -38.53 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 65.14 110.837 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.505 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.38 -39.89 67.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.925 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.55 1.83 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.791 -0.719 . . . . 71.22 112.45 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.2 Cg_endo -69.83 -26.31 27.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.635 2.223 . . . . 33.44 112.291 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -65.3 -35.08 79.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.884 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.5 94.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 71.4 110.847 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -55.76 -51.87 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 63.43 110.885 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.85 -45.47 58.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.48 119.9 15.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.13 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.2 p -43.93 -35.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 61.25 111.147 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 m -70.25 97.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.947 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -24.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.117 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -48.01 105.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.93 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.0 t -150.78 174.54 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -133.23 117.94 18.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 70.51 110.884 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -89.32 102.84 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 41.13 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 ptm -126.46 140.0 52.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.965 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 61.7 35.72 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.35 110.933 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.11 26.09 65.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.697 -0.763 . . . . 74.33 112.484 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -128.36 149.92 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 74.01 110.879 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.1 t -105.59 118.42 36.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.89 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -121.09 97.19 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.1 m -62.13 154.45 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -98.72 -35.54 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.891 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.56 152.63 8.43 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.745 -0.74 . . . . 60.11 112.498 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -70.51 116.52 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 75.53 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 53.23 111.154 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.529 -0.229 . . . . 54.5 112.529 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -81.2 143.71 32.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 71.35 110.87 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.489 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.66 124.45 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 65.02 111.18 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -70.08 137.86 51.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 60.33 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.6 p -166.4 -177.86 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.951 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -52.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.32 110.822 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.05 -175.07 39.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 64.33 112.451 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.481 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -79.43 -54.45 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.735 0.302 . . . . 73.14 111.172 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -52.02 -42.55 63.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 74.41 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -51.36 -30.61 19.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.31 -38.54 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.14 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.481 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.35 -39.9 67.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 73.05 110.898 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.47 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 71.22 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.2 Cg_endo -69.73 -26.15 28.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 33.44 112.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.89 -32.47 73.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.66 -40.53 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.4 110.872 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -57.69 -34.48 69.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 63.43 110.951 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -91.12 -45.56 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.921 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.0 p -137.22 121.15 17.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.145 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 p -44.48 -35.1 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 61.25 111.119 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.7 m -70.57 93.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.14 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.47 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.65 -22.97 66.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.155 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.08 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.842 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.77 176.08 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -135.88 117.93 15.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 70.51 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.61 100.78 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 41.13 110.907 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -125.34 140.06 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.828 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 t30 60.04 35.68 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.923 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.55 26.09 64.08 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.716 -0.754 . . . . 74.33 112.478 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -128.07 144.82 51.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.35 . . . . 74.01 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.63 116.83 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.924 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -115.97 97.13 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.895 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 m -62.1 131.17 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.952 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -80.52 -35.41 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.15 110.929 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.73 177.05 50.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 60.11 112.515 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.76 122.77 33.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 75.53 110.85 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.23 111.178 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.483 -0.247 . . . . 54.5 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.23 125.15 18.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.805 0.336 . . . . 71.35 110.872 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.408 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.3 mp -86.09 128.71 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 65.02 111.124 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -69.66 133.95 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 60.33 110.901 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p -163.84 -175.94 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.924 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -127.0 -51.99 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.53 -174.97 37.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 64.33 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.494 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -78.57 -54.94 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 73.14 111.128 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -51.92 -43.29 63.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.5 -30.4 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 74.01 110.914 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.14 -38.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.494 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.5 m0 -54.32 -39.96 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.05 111.006 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 71.22 112.465 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.3 Cg_endo -69.82 -25.79 27.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 33.44 112.316 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.9 -32.63 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.62 -40.5 66.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.927 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -57.65 -34.66 69.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.843 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.99 -45.62 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.885 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 p -137.27 121.17 17.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.134 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -44.16 -35.5 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.25 111.112 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.95 94.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.3 p -66.66 -23.82 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.152 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.2 104.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.882 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.93 176.11 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.0 110.818 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -136.14 117.94 15.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 70.51 110.889 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -85.58 102.98 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 41.13 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -122.91 139.8 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.14 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m120 55.24 34.75 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.47 26.08 70.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.449 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -124.87 143.19 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 74.01 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 t -105.64 112.62 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 65.24 110.926 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -112.32 97.3 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.11 126.92 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -75.08 -35.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.904 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 175.71 48.53 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 60.11 112.477 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.1 m -90.65 121.49 32.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 75.53 110.901 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 53.23 111.139 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.477 -0.249 . . . . 54.5 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.51 136.08 57.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 71.35 110.847 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.527 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.87 124.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 65.02 111.205 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -69.32 135.69 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 60.33 110.855 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p -168.9 -179.45 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -124.47 -53.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.891 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.06 -177.01 45.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 64.33 112.488 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.498 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -79.1 -54.19 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 73.14 111.103 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -51.86 -42.87 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.42 -30.65 20.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.893 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.32 -38.55 21.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.498 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.2 m0 -54.45 -39.67 67.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 73.05 110.973 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.53 1.85 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 71.22 112.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.527 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.64 -26.74 27.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 33.44 112.416 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.51 -35.06 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.838 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -41.43 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.4 110.878 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -55.82 -51.91 65.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 63.43 110.836 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -72.75 -45.52 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.43 119.72 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.106 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 p -44.04 -35.18 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.121 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -70.35 97.56 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 64.14 110.826 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.76 -24.11 66.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.124 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -47.98 105.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.0 t -151.37 175.1 12.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 75.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -133.87 117.93 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 70.51 110.892 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.86 101.36 13.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 41.13 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.9 ptm -124.83 139.93 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.957 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.0 35.81 18.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 74.35 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.13 26.1 65.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.503 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -127.8 148.88 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 74.01 110.957 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.1 t -105.54 117.41 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.24 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -119.85 97.24 5.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.963 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.16 153.07 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.953 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -98.49 -35.48 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.976 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.58 153.03 7.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 60.11 112.469 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.12 116.39 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 75.53 110.849 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 53.23 111.12 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.423 -0.271 . . . . 54.5 112.423 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.87 136.32 34.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 71.35 110.847 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.549 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.2 mp -81.58 122.74 37.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 65.02 111.085 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -70.74 139.81 51.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 60.33 110.926 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 p -169.08 177.07 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.817 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -117.68 -53.67 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.838 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.5 -176.37 44.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.472 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.41 HG22 ' NE1' ' A' ' 12' ' ' TRP . 2.4 m -79.38 -54.9 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 73.14 111.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -39.86 59.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.876 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.51 -30.56 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.34 -39.0 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 65.14 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.41 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.38 -39.61 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.58 -67.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 71.22 112.455 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.549 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 Cg_endo -69.79 -26.88 26.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 33.44 112.324 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.5 -35.17 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.954 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.4 OUTLIER -65.06 -41.46 95.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.888 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.81 -51.84 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 63.43 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -72.86 -45.5 57.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 p -137.49 119.83 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 74.11 111.108 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -44.01 -35.1 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 61.25 111.144 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.83 96.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.14 110.802 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -66.75 -23.94 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.105 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -47.91 105.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -152.58 173.16 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 75.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -132.86 118.04 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 70.51 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.04 102.82 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 41.13 110.814 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -125.37 139.79 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.909 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 m120 61.57 35.8 17.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.901 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.97 26.07 65.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.33 112.549 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -128.59 148.56 50.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 74.01 110.912 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.67 119.19 38.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 65.24 110.877 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -118.86 97.21 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.971 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.01 140.01 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -89.01 -35.7 16.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.944 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.69 169.82 43.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.748 . . . . 60.11 112.539 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.78 118.58 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 75.53 110.924 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 53.23 111.145 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.546 -0.222 . . . . 54.5 112.546 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.69 150.93 36.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.327 . . . . 71.35 110.898 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.32 124.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.02 111.076 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -71.59 134.82 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.946 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 p -162.77 -176.35 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -125.32 -51.78 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.25 -174.67 37.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 64.33 112.523 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.466 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.1 m -79.42 -55.3 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 73.14 111.227 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptp85 -51.76 -42.43 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -51.54 -30.33 20.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.884 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.18 -38.89 21.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.466 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.48 -39.59 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.05 110.915 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.57 1.83 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 71.22 112.493 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.0 Cg_endo -69.75 -27.03 27.01 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.758 2.305 . . . . 33.44 112.366 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.44 -35.26 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.36 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 71.4 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -51.81 66.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.964 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.97 -45.45 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -137.49 119.65 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.137 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -44.09 -35.03 1.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 61.25 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m -70.2 96.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 64.14 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.69 -23.95 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.74 105.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 73.14 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -152.21 176.04 12.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.35 117.99 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.78 102.46 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 41.13 110.868 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -126.02 137.96 53.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 64.14 110.846 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 61.2 35.55 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.56 26.14 64.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 74.33 112.511 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -126.6 147.04 49.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 74.01 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.61 118.19 35.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 65.24 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -120.31 97.4 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.927 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.7 m -62.12 142.24 57.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.784 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -88.77 -35.62 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.5 158.4 14.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 60.11 112.44 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.18 115.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 75.53 110.836 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 53.23 111.18 179.843 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.492 -0.243 . . . . 54.5 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -68.19 145.18 54.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.767 0.317 . . . . 71.35 110.881 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.1 123.79 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 65.02 111.146 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -70.62 136.42 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 60.33 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 p -164.97 -177.21 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.868 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -124.92 -52.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.873 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.45 -175.18 38.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 64.33 112.498 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.496 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -79.38 -54.32 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 73.14 111.174 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -51.92 -43.11 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -51.4 -30.48 19.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 74.01 110.933 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.19 -38.68 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.14 110.902 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.37 -39.81 67.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.891 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -67.5 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 71.22 112.49 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.479 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 33.44 112.313 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -65.22 -35.14 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.877 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.53 94.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -55.81 -51.87 65.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.876 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -72.74 -45.49 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.965 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.49 119.81 15.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.053 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -44.13 -35.04 2.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 61.25 111.151 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 m -70.5 97.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.834 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -23.86 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.157 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -48.06 105.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.841 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 t -151.45 175.44 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 117.99 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 70.51 110.823 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.85 101.31 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 41.13 110.831 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -124.9 139.99 53.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.892 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 59.82 35.75 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.949 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.09 26.16 65.38 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -128.09 147.14 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 74.01 110.858 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.8 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -115.12 97.33 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.913 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -61.98 134.97 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.906 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -87.03 -35.61 18.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 178.67 52.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 60.11 112.528 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 m -90.71 119.17 30.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 75.53 110.865 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 53.23 111.162 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.483 -0.247 . . . . 54.5 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -58.22 148.16 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 71.35 110.884 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 3' ' ' ILE . 5.3 mp -81.29 124.54 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.02 111.141 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -71.1 135.66 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 60.33 110.929 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 p -163.41 -178.62 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.908 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -124.02 -52.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.832 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.99 -174.9 39.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.649 -0.786 . . . . 64.33 112.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.443 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -79.37 -55.28 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.736 0.303 . . . . 73.14 111.097 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -51.87 -42.35 62.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 74.41 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -51.53 -30.36 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.884 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.2 -38.83 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 65.14 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.443 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.5 m0 -54.35 -39.7 67.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.66 1.79 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 71.22 112.488 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.0 Cg_endo -69.73 -26.68 27.48 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.628 2.219 . . . . 33.44 112.333 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.19 -35.21 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.939 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -41.36 94.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 71.4 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -55.8 -51.92 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 63.43 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -72.79 -45.52 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.927 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.6 p -137.5 119.69 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.186 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -44.08 -35.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 61.25 111.108 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -70.56 97.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 64.14 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.62 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.158 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.92 105.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -152.01 176.09 11.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 117.98 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 70.51 110.864 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.16 101.16 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 41.13 110.872 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -124.48 140.0 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 64.14 110.908 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 59.24 35.62 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.872 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.59 26.3 64.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.33 112.48 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -127.09 146.87 50.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 74.01 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.6 t -105.71 117.55 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.24 110.83 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -118.11 97.2 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.905 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.95 134.84 57.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -86.59 -35.63 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.886 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.59 178.23 52.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 60.11 112.534 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -90.35 120.85 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 75.53 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.069 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.479 -0.248 . . . . 54.5 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -81.61 145.52 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.771 0.32 . . . . 71.35 110.831 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.38 124.52 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 65.02 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -69.82 133.27 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 60.33 110.906 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 p -161.48 179.29 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.852 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -123.77 -43.91 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.17 -174.14 25.31 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.767 -0.73 . . . . 64.33 112.416 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.503 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -79.41 -54.58 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 73.14 111.137 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -44.33 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.858 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -51.29 -30.47 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.24 -38.56 22.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.841 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.503 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.4 -39.81 67.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.938 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.43 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 71.22 112.508 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.76 -26.52 27.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 33.44 112.315 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -65.55 -35.07 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -41.49 94.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.875 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -55.8 -51.87 65.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.905 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.81 -45.47 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.913 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -137.42 119.7 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.11 111.176 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -43.99 -35.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.25 111.057 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.47 98.32 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.14 110.844 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -24.07 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.14 111.163 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -48.01 105.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.839 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -151.02 175.25 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -133.56 117.95 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 70.51 110.871 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.54 102.91 15.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 41.13 110.969 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -126.59 140.08 52.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.816 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 58.49 36.12 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.35 110.901 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.81 26.15 64.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 74.33 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -126.13 146.5 49.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.869 0.366 . . . . 74.01 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.61 116.21 31.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.922 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -117.14 97.33 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.893 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 m -62.16 142.95 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -93.38 -35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.946 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.11 175.79 50.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 60.11 112.504 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.2 m -90.77 118.55 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 75.53 110.917 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 53.23 111.126 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.445 -0.262 . . . . 54.5 112.445 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -87.72 142.86 27.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 71.35 110.797 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 3' ' ' ILE . 5.3 mp -81.7 129.31 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 65.02 111.169 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.49 142.28 51.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 60.33 110.884 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.8 p -167.85 177.41 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.918 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -118.65 -47.61 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.849 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.67 -170.09 23.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.473 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.56 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -79.41 -53.13 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 73.14 111.192 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -51.86 -44.47 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 74.41 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.29 -30.65 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.928 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.8 t -83.16 -38.53 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 65.14 110.853 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.56 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.31 -39.91 67.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.52 1.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 71.22 112.494 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.77 -26.24 27.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.648 2.232 . . . . 33.44 112.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.96 -35.05 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -41.59 94.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 71.4 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -55.69 -51.88 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 63.43 110.903 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.82 -45.51 58.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.906 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.46 119.67 15.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.147 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -43.87 -35.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 61.25 111.122 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 m -70.75 99.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 64.14 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -66.67 -24.28 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.137 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.02 105.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.71 176.04 11.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 75.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -135.89 117.95 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.838 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.23 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 41.13 110.848 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptm -127.78 140.1 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 64.14 110.842 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 63.51 35.87 11.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.861 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.88 26.15 62.61 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 74.33 112.455 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -132.72 153.61 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 74.01 110.85 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.59 125.29 50.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.905 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.67 97.27 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.92 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.06 148.87 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.936 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -95.45 -35.73 11.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 154.01 10.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 60.11 112.47 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.67 121.12 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 75.53 110.861 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 53.23 111.131 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.487 -0.245 . . . . 54.5 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -75.03 135.01 41.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.827 0.346 . . . . 71.35 110.812 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.497 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.37 124.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 65.02 111.152 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -69.32 137.08 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 60.33 110.907 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.3 p -168.22 -177.44 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.913 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -125.69 -52.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.874 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 -176.88 43.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 64.33 112.526 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.487 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.2 m -79.41 -54.76 5.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 73.14 111.233 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -51.83 -42.57 62.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -51.54 -30.34 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.948 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.22 -38.85 21.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.874 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.487 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.2 m0 -54.31 -39.71 67.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 73.05 110.935 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -67.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 71.22 112.494 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 Cg_endo -69.83 -26.82 26.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.752 2.301 . . . . 33.44 112.327 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.5 -35.09 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.915 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.49 95.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 71.4 110.937 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.69 -51.97 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -72.75 -45.61 57.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 p -137.46 119.84 15.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.163 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -44.14 -35.07 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 61.25 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 m -70.37 97.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 64.14 110.83 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.79 66.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.14 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -47.94 105.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.876 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 t -152.02 174.84 13.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -134.18 117.95 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 70.51 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -87.31 102.18 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 41.13 110.905 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -125.8 139.93 53.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.894 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 59.95 35.7 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.971 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.05 26.2 65.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 74.33 112.482 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -128.06 146.03 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 74.01 110.861 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -105.66 117.15 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 65.24 110.898 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -115.46 97.43 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.852 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.13 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.865 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.29 -35.77 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.954 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.28 176.91 49.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 60.11 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.8 m -90.74 118.86 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 75.53 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 53.23 111.128 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.473 -0.251 . . . . 54.5 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -86.36 142.9 28.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 71.35 110.799 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.497 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.81 124.78 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 65.02 111.126 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -66.66 141.78 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 60.33 110.883 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.3 p -169.85 -178.66 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -124.66 -46.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 63.32 110.896 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.7 -171.21 22.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 64.33 112.489 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -51.68 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 73.14 111.182 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -52.05 -46.6 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.883 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -51.14 -30.95 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.844 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 t -83.05 -38.07 23.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 65.14 110.951 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.2 -40.32 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 73.05 110.961 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 71.22 112.43 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.2 Cg_endo -69.74 -25.65 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 33.44 112.349 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.58 -32.18 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.911 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -40.53 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 71.4 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -57.5 -34.95 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 63.43 110.86 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.72 -45.74 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 p -137.32 121.39 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.161 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.1 p -44.39 -35.02 2.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 61.25 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.58 96.18 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -66.78 -24.22 66.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.14 111.123 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -47.84 105.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -150.85 172.35 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -129.42 117.94 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 70.51 110.93 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t -90.79 98.54 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 41.13 110.929 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptp -124.4 139.89 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.51 35.72 14.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.43 26.12 63.85 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.479 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -127.11 148.3 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 74.01 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.54 115.27 29.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.97 97.21 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.933 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 m -62.85 154.59 29.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.86 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.32 -35.49 10.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.15 110.922 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.81 154.46 9.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 60.11 112.506 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.07 115.98 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 75.53 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 53.23 111.138 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.532 -0.227 . . . . 54.5 112.532 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.11 126.39 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 71.35 110.886 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.506 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -83.22 124.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.02 111.109 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.43 138.61 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 60.33 110.889 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.7 p -169.54 -174.96 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.895 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -126.8 -51.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 63.32 110.82 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.12 -177.33 40.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 64.33 112.469 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.474 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -79.38 -54.7 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.717 0.294 . . . . 73.14 111.077 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -51.71 -42.96 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.868 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -51.68 -30.07 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.928 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.5 t -83.1 -38.86 21.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.935 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.474 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.41 -39.65 67.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.05 110.88 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.6 -67.52 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 71.22 112.475 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HG3' HG21 ' A' ' 3' ' ' ILE . 52.4 Cg_endo -69.8 -27.08 26.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.27 . . . . 33.44 112.3 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.29 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.885 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -41.46 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.905 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -55.84 -51.94 65.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.825 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.72 -45.47 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.907 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -137.4 119.48 15.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.193 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -43.82 -35.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.151 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 m -70.37 98.03 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 64.14 110.873 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.71 -23.72 66.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.14 111.145 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -47.76 105.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.873 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -152.18 173.54 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.78 117.96 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.51 110.898 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.26 98.05 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 41.13 110.885 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -121.95 140.05 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.893 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 60.09 35.63 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.919 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.39 26.2 65.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.793 -0.718 . . . . 74.33 112.473 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -128.38 145.52 51.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 74.01 110.992 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 t -105.62 119.33 38.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 65.24 110.86 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -115.32 97.17 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.961 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.74 128.46 36.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.888 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -83.73 -35.65 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.69 179.46 47.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 60.11 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.6 m -90.67 123.06 33.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 75.53 110.885 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 53.23 111.1 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.486 -0.246 . . . . 54.5 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -66.66 143.5 56.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 71.35 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.02 124.51 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 65.02 111.137 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -69.53 137.79 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 60.33 110.917 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 p -168.43 -175.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -126.64 -51.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.773 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.38 -177.1 41.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.808 -0.71 . . . . 64.33 112.497 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.472 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.3 m -79.46 -55.12 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 73.14 111.164 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -51.69 -42.64 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.922 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -51.77 -29.92 20.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 74.01 110.909 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -83.11 -39.05 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 65.14 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.472 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.43 -39.5 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.918 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 71.22 112.517 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.67 -27.19 27.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 33.44 112.31 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.56 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.47 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.842 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -55.86 -51.91 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 63.43 110.824 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.8 -45.46 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.11 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.6 p -137.48 119.69 15.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.148 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -44.27 -34.99 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 61.25 111.116 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.52 97.29 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.821 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -66.69 -23.19 66.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 73.14 111.158 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.86 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.908 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 t -152.48 175.04 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 75.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -134.46 117.95 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 70.51 110.901 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.37 100.73 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 41.13 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -124.84 140.03 53.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 64.14 110.841 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 59.85 35.8 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.89 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.06 26.21 65.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 74.33 112.495 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -128.26 144.99 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 74.01 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.67 116.68 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.24 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -113.85 97.28 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.21 134.51 56.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.933 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -88.46 -35.59 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.932 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.47 178.54 48.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 60.11 112.505 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.76 119.01 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 75.53 110.853 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 53.23 111.11 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.464 -0.254 . . . . 54.5 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.32 142.68 32.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 71.35 110.855 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.484 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.35 124.14 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 65.02 111.112 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.39 138.06 51.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 60.33 110.943 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 p -167.06 -174.85 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -126.81 -51.1 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.856 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.88 -176.79 39.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 64.33 112.528 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.447 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.1 m -79.31 -55.19 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 73.14 111.092 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -51.78 -42.62 62.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.804 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -51.66 -30.05 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.2 -38.95 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.861 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.36 -39.59 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.7 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.72 -0.752 . . . . 71.22 112.525 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.484 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.77 -26.75 27.23 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.621 2.214 . . . . 33.44 112.405 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.36 -35.12 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -41.41 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.907 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -55.86 -51.77 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 63.43 110.957 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -72.92 -45.44 58.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 p -137.46 119.63 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.213 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -44.19 -35.06 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 61.25 111.127 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.6 m -70.59 97.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.14 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -23.27 66.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.109 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.86 105.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -152.2 176.05 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -136.25 117.98 15.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 70.51 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.05 101.67 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 41.13 110.928 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -125.09 140.03 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.841 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 58.63 35.88 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.954 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 26.1 65.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 74.33 112.512 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -127.86 145.17 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 74.01 110.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.0 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.845 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -113.7 97.23 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.889 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.12 133.66 55.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.89 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -87.84 -35.8 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.933 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.42 49.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 60.11 112.442 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -90.75 116.08 28.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 75.53 110.795 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.23 111.124 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.517 -0.233 . . . . 54.5 112.517 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.44 140.21 57.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 71.35 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.457 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.99 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 65.02 111.177 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -69.42 138.16 53.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.33 110.863 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 p -163.72 174.94 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -116.41 -45.55 2.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.69 -169.39 20.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.779 -0.724 . . . . 64.33 112.508 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.51 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.36 -53.21 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 73.14 111.099 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -51.9 -44.37 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -51.26 -30.51 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.968 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.14 -38.47 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.14 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.51 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.34 -40.0 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 73.05 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.42 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.696 -0.764 . . . . 71.22 112.526 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.457 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.74 -26.51 27.6 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 33.44 112.356 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.89 -35.1 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.903 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -41.55 95.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.883 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -55.77 -51.89 65.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 63.43 110.886 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -72.81 -45.4 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.0 p -137.48 119.83 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.152 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.8 p -43.84 -35.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 61.25 111.135 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 m -70.45 98.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -24.51 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.14 111.161 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -48.15 104.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -149.51 176.0 11.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.94 117.85 15.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 70.51 110.928 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.96 103.19 14.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 41.13 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.2 140.19 53.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.76 38.41 24.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.868 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 26.24 62.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.33 112.455 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -130.44 150.39 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 74.01 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 t -103.53 125.49 50.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.865 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.73 97.19 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.888 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 m -62.1 142.63 57.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.929 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -88.47 -35.7 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.964 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 37' ' ' VAL . . . 78.7 144.53 2.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 60.11 112.483 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.69 117.05 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 75.53 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 35' ' ' GLY . 34.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 53.23 111.139 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.354 . . . . 71.35 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.489 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -84.4 125.17 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.02 111.146 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -68.92 133.52 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 60.33 110.933 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.6 p -165.01 -179.13 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.88 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -125.0 -53.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 63.32 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 -175.55 42.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 64.33 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -79.36 -54.16 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 73.14 111.124 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -51.9 -43.58 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.9 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -51.29 -30.59 18.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.953 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.19 -38.48 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.511 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.6 m0 -54.37 -39.96 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 73.05 110.936 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 71.22 112.485 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.78 -26.09 27.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 33.44 112.36 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.11 -32.63 73.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.82 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -72.46 -40.49 66.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.4 110.924 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -57.58 -34.47 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 63.43 110.928 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.18 -45.77 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 p -137.23 121.46 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 74.11 111.216 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -44.58 -35.03 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 61.25 111.201 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.3 m -69.97 93.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.75 -24.18 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.121 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -48.17 104.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.7 t -151.28 175.24 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 75.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -133.76 117.92 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.51 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.1 t -87.56 99.37 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 41.13 110.935 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -124.5 139.95 53.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.887 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 60.53 35.6 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.936 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.63 26.09 64.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 74.33 112.57 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -127.92 144.92 51.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.01 110.891 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 t -105.7 115.67 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.832 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -114.94 97.2 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.1 130.43 45.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.891 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -75.81 -35.5 60.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.887 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.19 168.58 38.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 60.11 112.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.1 m -86.11 116.15 24.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 75.53 110.823 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 53.23 111.185 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.763 0.315 . . . . 71.35 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.436 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.83 130.47 35.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 65.02 111.133 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -72.4 133.3 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 60.33 110.986 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.9 p -161.79 -176.2 5.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.941 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -125.37 -51.73 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.32 -173.19 31.18 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.546 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -77.4 -54.08 6.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 73.14 111.16 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -51.91 -44.23 63.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -51.09 -31.0 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.01 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -83.3 -38.19 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.546 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.3 -40.2 67.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.952 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.35 1.91 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 71.22 112.555 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.6 Cg_endo -69.77 -25.65 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 33.44 112.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -67.08 -32.73 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -72.4 -40.23 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.924 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -57.8 -34.58 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 63.43 110.859 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.91 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 p -137.34 121.7 18.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.144 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 p -44.55 -35.0 2.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 61.25 111.186 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.92 94.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.929 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.3 p -66.77 -24.4 66.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.179 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -48.2 104.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.879 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.8 t -151.01 173.85 13.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -131.15 117.93 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.51 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.45 103.18 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 41.13 110.877 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.89 139.49 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.89 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 62.46 35.58 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.35 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.37 26.21 63.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.452 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -127.58 143.12 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 74.01 110.89 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.1 t -105.59 118.79 37.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -119.25 97.35 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 m -62.04 134.34 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.876 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -80.51 -35.36 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 171.46 44.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.668 -0.777 . . . . 60.11 112.483 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.84 116.33 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 75.53 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 53.23 111.069 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.833 0.349 . . . . 71.35 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.23 124.48 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.02 111.155 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -69.9 137.49 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 60.33 110.894 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 p -165.69 -176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -124.92 -51.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.5 -174.58 37.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 64.33 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.492 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -79.42 -54.5 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 73.14 111.146 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -51.9 -42.97 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -51.38 -30.54 19.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.31 -38.59 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.851 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.492 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.31 -39.92 67.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 73.05 110.923 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.53 1.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 71.22 112.467 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.5 Cg_endo -69.74 -26.06 28.07 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.709 2.273 . . . . 33.44 112.346 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.869 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.54 -40.55 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 71.4 110.92 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -57.72 -34.55 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 63.43 110.839 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -91.08 -45.68 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.828 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 p -137.13 121.22 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.186 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.41 -35.22 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 61.25 111.125 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.31 93.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.921 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.61 -23.67 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.154 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -47.89 104.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -151.31 176.05 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -135.47 117.85 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 70.51 110.936 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.5 102.01 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 41.13 110.925 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -126.58 140.04 52.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 64.14 110.858 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 59.68 35.74 22.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.62 26.14 64.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 74.33 112.493 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -127.88 144.75 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 74.01 110.854 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.63 116.69 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.919 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -116.08 97.22 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.07 129.86 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -77.59 -35.43 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.956 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 176.21 50.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 60.11 112.427 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.69 117.86 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 75.53 110.911 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 53.23 111.153 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.741 0.305 . . . . 71.35 110.911 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.434 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -86.38 128.02 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 65.02 111.147 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -69.68 138.27 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 60.33 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 p -170.86 -175.85 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -128.08 -51.88 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.81 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.16 -177.19 42.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.534 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -78.98 -54.55 5.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 73.14 111.157 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -51.79 -43.64 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.838 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.56 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.93 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.25 -38.59 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 65.14 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.534 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.6 m0 -54.16 -40.04 67.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 73.05 110.932 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.46 -67.47 1.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 71.22 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.9 Cg_endo -69.77 -25.96 28.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 33.44 112.384 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.85 -32.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.53 -40.67 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.846 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -57.61 -34.62 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.94 -45.62 8.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -137.29 121.24 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.2 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.2 p -44.48 -35.09 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.25 111.13 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.5 94.07 0.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.882 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.459 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.66 -23.63 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.14 111.172 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -48.07 104.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.21 176.02 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -135.81 117.92 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 70.51 110.86 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.49 101.93 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 41.13 110.856 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -127.65 139.97 52.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.918 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t30 61.25 35.36 18.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.3 26.17 63.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.457 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -129.28 145.49 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 74.01 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 t -105.66 117.61 34.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.802 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -116.16 97.26 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.866 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.15 130.19 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.908 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.32 -35.39 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 74.15 110.955 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.77 176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.766 . . . . 60.11 112.496 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.74 116.68 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 75.53 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 53.23 111.163 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.764 0.316 . . . . 71.35 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.535 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.3 mp -81.26 123.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 65.02 111.121 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -71.1 137.13 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 60.33 110.845 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.9 p -165.95 -178.19 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.903 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -122.89 -51.99 1.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.81 -174.34 36.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 64.33 112.473 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.505 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -79.28 -53.15 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 73.14 111.156 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -52.24 -43.05 64.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -51.14 -31.01 18.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 t -83.24 -38.53 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 65.14 110.837 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.505 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.38 -39.89 67.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.925 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.55 1.83 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.791 -0.719 . . . . 71.22 112.45 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.2 Cg_endo -69.83 -26.31 27.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.635 2.223 . . . . 33.44 112.291 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -65.3 -35.08 79.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.884 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.5 94.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 71.4 110.847 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -55.76 -51.87 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 63.43 110.885 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.85 -45.47 58.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.48 119.9 15.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.13 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.2 p -43.93 -35.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 61.25 111.147 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 m -70.25 97.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.947 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -24.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.117 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -48.01 105.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.93 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.0 t -150.78 174.54 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -133.23 117.94 18.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 70.51 110.884 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -89.32 102.84 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 41.13 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 ptm -126.46 140.0 52.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.965 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 61.7 35.72 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.35 110.933 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.11 26.09 65.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.697 -0.763 . . . . 74.33 112.484 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -128.36 149.92 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 74.01 110.879 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.1 t -105.59 118.42 36.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.89 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -121.09 97.19 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.1 m -62.13 154.45 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -98.72 -35.54 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.891 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.56 152.63 8.43 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.745 -0.74 . . . . 60.11 112.498 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -70.51 116.52 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 75.53 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 53.23 111.154 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.758 0.313 . . . . 71.35 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.489 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.66 124.45 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 65.02 111.18 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -70.08 137.86 51.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 60.33 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.6 p -166.4 -177.86 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.951 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -52.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.32 110.822 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.05 -175.07 39.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 64.33 112.451 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.481 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -79.43 -54.45 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.735 0.302 . . . . 73.14 111.172 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -52.02 -42.55 63.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 74.41 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -51.36 -30.61 19.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.31 -38.54 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.14 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.481 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.35 -39.9 67.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 73.05 110.898 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.47 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 71.22 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.2 Cg_endo -69.73 -26.15 28.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 33.44 112.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.89 -32.47 73.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.66 -40.53 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.4 110.872 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -57.69 -34.48 69.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 63.43 110.951 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -91.12 -45.56 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.921 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.0 p -137.22 121.15 17.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.145 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 p -44.48 -35.1 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 61.25 111.119 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.7 m -70.57 93.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.14 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.47 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.65 -22.97 66.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.155 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.08 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.842 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.77 176.08 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -135.88 117.93 15.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 70.51 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.61 100.78 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 41.13 110.907 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -125.34 140.06 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.828 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 t30 60.04 35.68 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.923 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.55 26.09 64.08 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.716 -0.754 . . . . 74.33 112.478 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -128.07 144.82 51.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.35 . . . . 74.01 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.63 116.83 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.924 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -115.97 97.13 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.895 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 m -62.1 131.17 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.952 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -80.52 -35.41 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.15 110.929 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.73 177.05 50.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 60.11 112.515 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.76 122.77 33.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 75.53 110.85 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.23 111.178 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.805 0.336 . . . . 71.35 110.872 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.408 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.3 mp -86.09 128.71 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 65.02 111.124 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -69.66 133.95 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 60.33 110.901 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p -163.84 -175.94 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.924 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -127.0 -51.99 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.53 -174.97 37.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 64.33 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.494 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -78.57 -54.94 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 73.14 111.128 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -51.92 -43.29 63.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.5 -30.4 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 74.01 110.914 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.14 -38.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.494 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.5 m0 -54.32 -39.96 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.05 111.006 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 71.22 112.465 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.3 Cg_endo -69.82 -25.79 27.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 33.44 112.316 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.9 -32.63 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.62 -40.5 66.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.927 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -57.65 -34.66 69.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.843 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.99 -45.62 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.885 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 p -137.27 121.17 17.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.134 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -44.16 -35.5 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.25 111.112 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.95 94.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.3 p -66.66 -23.82 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.152 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.2 104.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.882 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.93 176.11 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.0 110.818 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -136.14 117.94 15.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 70.51 110.889 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -85.58 102.98 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 41.13 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -122.91 139.8 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.14 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m120 55.24 34.75 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.47 26.08 70.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.449 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -124.87 143.19 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 74.01 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 t -105.64 112.62 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 65.24 110.926 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -112.32 97.3 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.11 126.92 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -75.08 -35.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.904 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 175.71 48.53 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 60.11 112.477 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.1 m -90.65 121.49 32.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 75.53 110.901 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 53.23 111.139 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 71.35 110.847 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.527 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.87 124.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 65.02 111.205 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -69.32 135.69 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 60.33 110.855 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p -168.9 -179.45 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -124.47 -53.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.891 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.06 -177.01 45.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 64.33 112.488 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.498 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -79.1 -54.19 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 73.14 111.103 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -51.86 -42.87 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.42 -30.65 20.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.893 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.32 -38.55 21.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.498 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.2 m0 -54.45 -39.67 67.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 73.05 110.973 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.53 1.85 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 71.22 112.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.527 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.64 -26.74 27.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 33.44 112.416 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.51 -35.06 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.838 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -41.43 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.4 110.878 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -55.82 -51.91 65.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 63.43 110.836 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -72.75 -45.52 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.43 119.72 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.106 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 p -44.04 -35.18 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.121 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -70.35 97.56 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 64.14 110.826 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.76 -24.11 66.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.124 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -47.98 105.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.0 t -151.37 175.1 12.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 75.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -133.87 117.93 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 70.51 110.892 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.86 101.36 13.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 41.13 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.9 ptm -124.83 139.93 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.957 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.0 35.81 18.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 74.35 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.13 26.1 65.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.503 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -127.8 148.88 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 74.01 110.957 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.1 t -105.54 117.41 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.24 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -119.85 97.24 5.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.963 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.16 153.07 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.953 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -98.49 -35.48 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.976 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.58 153.03 7.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 60.11 112.469 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.12 116.39 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 75.53 110.849 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 53.23 111.12 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 71.35 110.847 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.549 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.2 mp -81.58 122.74 37.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 65.02 111.085 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -70.74 139.81 51.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 60.33 110.926 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 p -169.08 177.07 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.817 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -117.68 -53.67 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.838 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.5 -176.37 44.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.472 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.41 HG22 ' NE1' ' A' ' 12' ' ' TRP . 2.4 m -79.38 -54.9 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 73.14 111.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -39.86 59.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.876 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.51 -30.56 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.34 -39.0 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 65.14 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.41 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.38 -39.61 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.58 -67.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 71.22 112.455 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.549 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 Cg_endo -69.79 -26.88 26.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 33.44 112.324 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.5 -35.17 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.954 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.4 OUTLIER -65.06 -41.46 95.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.888 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.81 -51.84 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 63.43 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -72.86 -45.5 57.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 p -137.49 119.83 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 74.11 111.108 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -44.01 -35.1 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 61.25 111.144 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.83 96.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.14 110.802 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -66.75 -23.94 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.105 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -47.91 105.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -152.58 173.16 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 75.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -132.86 118.04 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 70.51 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.04 102.82 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 41.13 110.814 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -125.37 139.79 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.909 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 m120 61.57 35.8 17.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.901 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.97 26.07 65.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.33 112.549 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -128.59 148.56 50.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 74.01 110.912 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.67 119.19 38.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 65.24 110.877 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -118.86 97.21 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.971 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.01 140.01 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -89.01 -35.7 16.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.944 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.69 169.82 43.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.748 . . . . 60.11 112.539 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.78 118.58 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 75.53 110.924 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 53.23 111.145 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.788 0.327 . . . . 71.35 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.32 124.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.02 111.076 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -71.59 134.82 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.946 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 p -162.77 -176.35 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -125.32 -51.78 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.25 -174.67 37.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 64.33 112.523 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.466 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.1 m -79.42 -55.3 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 73.14 111.227 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptp85 -51.76 -42.43 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -51.54 -30.33 20.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.884 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.18 -38.89 21.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.466 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.48 -39.59 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.05 110.915 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.57 1.83 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 71.22 112.493 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.0 Cg_endo -69.75 -27.03 27.01 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.758 2.305 . . . . 33.44 112.366 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.44 -35.26 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.36 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 71.4 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -51.81 66.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.964 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.97 -45.45 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -137.49 119.65 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.137 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -44.09 -35.03 1.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 61.25 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m -70.2 96.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 64.14 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.69 -23.95 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.74 105.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 73.14 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -152.21 176.04 12.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.35 117.99 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.78 102.46 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 41.13 110.868 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -126.02 137.96 53.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 64.14 110.846 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 61.2 35.55 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.56 26.14 64.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 74.33 112.511 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -126.6 147.04 49.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 74.01 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.61 118.19 35.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 65.24 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -120.31 97.4 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.927 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.7 m -62.12 142.24 57.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.784 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -88.77 -35.62 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.5 158.4 14.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 60.11 112.44 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.18 115.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 75.53 110.836 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 53.23 111.18 179.843 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.767 0.317 . . . . 71.35 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.1 123.79 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 65.02 111.146 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -70.62 136.42 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 60.33 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 p -164.97 -177.21 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.868 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -124.92 -52.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.873 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.45 -175.18 38.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 64.33 112.498 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.496 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -79.38 -54.32 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 73.14 111.174 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -51.92 -43.11 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -51.4 -30.48 19.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 74.01 110.933 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.19 -38.68 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.14 110.902 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.496 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.37 -39.81 67.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.891 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -67.5 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 71.22 112.49 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.479 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 33.44 112.313 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -65.22 -35.14 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.877 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.53 94.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -55.81 -51.87 65.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.876 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -72.74 -45.49 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.965 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.49 119.81 15.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.053 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -44.13 -35.04 2.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 61.25 111.151 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 m -70.5 97.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.834 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -23.86 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.157 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -48.06 105.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.841 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 t -151.45 175.44 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 117.99 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 70.51 110.823 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.85 101.31 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 41.13 110.831 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -124.9 139.99 53.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.892 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 59.82 35.75 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.949 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.09 26.16 65.38 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -128.09 147.14 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 74.01 110.858 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.8 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -115.12 97.33 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.913 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -61.98 134.97 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.906 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -87.03 -35.61 18.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 178.67 52.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 60.11 112.528 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 m -90.71 119.17 30.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 75.53 110.865 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 53.23 111.162 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.828 0.347 . . . . 71.35 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 3' ' ' ILE . 5.3 mp -81.29 124.54 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.02 111.141 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -71.1 135.66 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 60.33 110.929 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 p -163.41 -178.62 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.908 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -124.02 -52.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.832 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.99 -174.9 39.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.649 -0.786 . . . . 64.33 112.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.443 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -79.37 -55.28 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.736 0.303 . . . . 73.14 111.097 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -51.87 -42.35 62.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 74.41 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -51.53 -30.36 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.884 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.2 -38.83 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 65.14 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.443 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.5 m0 -54.35 -39.7 67.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.66 1.79 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 71.22 112.488 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.0 Cg_endo -69.73 -26.68 27.48 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.628 2.219 . . . . 33.44 112.333 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.19 -35.21 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.939 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -41.36 94.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 71.4 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -55.8 -51.92 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 63.43 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -72.79 -45.52 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.927 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.6 p -137.5 119.69 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.186 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -44.08 -35.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 61.25 111.108 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -70.56 97.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 64.14 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.62 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.158 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.92 105.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -152.01 176.09 11.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 117.98 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 70.51 110.864 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.16 101.16 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 41.13 110.872 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -124.48 140.0 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 64.14 110.908 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 59.24 35.62 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.872 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.59 26.3 64.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.33 112.48 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -127.09 146.87 50.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 74.01 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.6 t -105.71 117.55 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.24 110.83 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -118.11 97.2 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.905 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.95 134.84 57.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -86.59 -35.63 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.886 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.59 178.23 52.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 60.11 112.534 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -90.35 120.85 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 75.53 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.069 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.771 0.32 . . . . 71.35 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.38 124.52 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 65.02 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -69.82 133.27 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 60.33 110.906 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 p -161.48 179.29 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.852 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -123.77 -43.91 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.17 -174.14 25.31 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.767 -0.73 . . . . 64.33 112.416 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.503 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -79.41 -54.58 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 73.14 111.137 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -44.33 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.858 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -51.29 -30.47 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.24 -38.56 22.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.841 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.503 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.4 -39.81 67.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.938 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.43 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 71.22 112.508 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.76 -26.52 27.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 33.44 112.315 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -65.55 -35.07 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -41.49 94.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.875 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -55.8 -51.87 65.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.905 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.81 -45.47 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.913 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -137.42 119.7 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.11 111.176 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -43.99 -35.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.25 111.057 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.47 98.32 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.14 110.844 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -24.07 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.14 111.163 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -48.01 105.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.839 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -151.02 175.25 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -133.56 117.95 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 70.51 110.871 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.54 102.91 15.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 41.13 110.969 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -126.59 140.08 52.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.816 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 58.49 36.12 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.35 110.901 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.81 26.15 64.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 74.33 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -126.13 146.5 49.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.869 0.366 . . . . 74.01 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.61 116.21 31.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.922 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -117.14 97.33 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.893 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 m -62.16 142.95 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -93.38 -35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.946 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.11 175.79 50.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 60.11 112.504 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.2 m -90.77 118.55 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 75.53 110.917 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 53.23 111.126 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 71.35 110.797 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 3' ' ' ILE . 5.3 mp -81.7 129.31 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 65.02 111.169 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.49 142.28 51.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 60.33 110.884 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.8 p -167.85 177.41 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.918 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -118.65 -47.61 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.849 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.67 -170.09 23.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.473 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.56 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -79.41 -53.13 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 73.14 111.192 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -51.86 -44.47 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 74.41 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.29 -30.65 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.928 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.8 t -83.16 -38.53 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 65.14 110.853 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.56 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.31 -39.91 67.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.52 1.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 71.22 112.494 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.77 -26.24 27.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.648 2.232 . . . . 33.44 112.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.96 -35.05 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -41.59 94.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 71.4 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -55.69 -51.88 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 63.43 110.903 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.82 -45.51 58.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.906 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.46 119.67 15.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.147 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -43.87 -35.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 61.25 111.122 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 m -70.75 99.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 64.14 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -66.67 -24.28 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.137 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.02 105.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.71 176.04 11.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 75.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -135.89 117.95 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.838 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.23 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 41.13 110.848 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptm -127.78 140.1 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 64.14 110.842 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 63.51 35.87 11.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.861 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.88 26.15 62.61 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 74.33 112.455 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -132.72 153.61 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 74.01 110.85 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.59 125.29 50.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.905 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.67 97.27 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.92 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.06 148.87 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.936 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -95.45 -35.73 11.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 154.01 10.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 60.11 112.47 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.67 121.12 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 75.53 110.861 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 53.23 111.131 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 71.35 110.812 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.497 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.37 124.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 65.02 111.152 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -69.32 137.08 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 60.33 110.907 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.3 p -168.22 -177.44 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.913 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -125.69 -52.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.874 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 -176.88 43.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 64.33 112.526 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.487 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.2 m -79.41 -54.76 5.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 73.14 111.233 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -51.83 -42.57 62.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -51.54 -30.34 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.948 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.22 -38.85 21.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.874 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.487 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.2 m0 -54.31 -39.71 67.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 73.05 110.935 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -67.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 71.22 112.494 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 Cg_endo -69.83 -26.82 26.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.752 2.301 . . . . 33.44 112.327 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.5 -35.09 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.915 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.49 95.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 71.4 110.937 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.69 -51.97 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -72.75 -45.61 57.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 p -137.46 119.84 15.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.163 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -44.14 -35.07 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 61.25 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 m -70.37 97.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 64.14 110.83 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.79 66.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.14 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -47.94 105.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.876 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 t -152.02 174.84 13.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -134.18 117.95 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 70.51 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -87.31 102.18 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 41.13 110.905 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -125.8 139.93 53.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.894 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 59.95 35.7 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.971 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.05 26.2 65.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 74.33 112.482 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -128.06 146.03 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 74.01 110.861 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -105.66 117.15 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 65.24 110.898 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -115.46 97.43 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.852 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.13 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.865 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.29 -35.77 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.954 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.28 176.91 49.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 60.11 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.8 m -90.74 118.86 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 75.53 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 53.23 111.128 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.818 0.342 . . . . 71.35 110.799 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.497 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.81 124.78 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 65.02 111.126 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -66.66 141.78 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 60.33 110.883 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.3 p -169.85 -178.66 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -124.66 -46.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 63.32 110.896 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.7 -171.21 22.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 64.33 112.489 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -51.68 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 73.14 111.182 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -52.05 -46.6 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.883 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -51.14 -30.95 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.844 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 t -83.05 -38.07 23.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 65.14 110.951 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.2 -40.32 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 73.05 110.961 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 71.22 112.43 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.2 Cg_endo -69.74 -25.65 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 33.44 112.349 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.58 -32.18 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.911 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -40.53 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 71.4 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -57.5 -34.95 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 63.43 110.86 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.72 -45.74 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 p -137.32 121.39 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.161 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.1 p -44.39 -35.02 2.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 61.25 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.58 96.18 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -66.78 -24.22 66.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.14 111.123 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -47.84 105.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -150.85 172.35 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -129.42 117.94 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 70.51 110.93 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t -90.79 98.54 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 41.13 110.929 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptp -124.4 139.89 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.51 35.72 14.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.43 26.12 63.85 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.479 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -127.11 148.3 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 74.01 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.54 115.27 29.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.97 97.21 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.933 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 m -62.85 154.59 29.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.86 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.32 -35.49 10.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.15 110.922 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.81 154.46 9.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 60.11 112.506 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.07 115.98 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 75.53 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 53.23 111.138 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.342 . . . . 71.35 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.506 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -83.22 124.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.02 111.109 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.43 138.61 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 60.33 110.889 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.7 p -169.54 -174.96 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.895 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -126.8 -51.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 63.32 110.82 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.12 -177.33 40.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 64.33 112.469 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.474 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -79.38 -54.7 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.717 0.294 . . . . 73.14 111.077 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -51.71 -42.96 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.868 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -51.68 -30.07 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.928 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.5 t -83.1 -38.86 21.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.935 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.474 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.41 -39.65 67.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.05 110.88 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.6 -67.52 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 71.22 112.475 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HG3' HG21 ' A' ' 3' ' ' ILE . 52.4 Cg_endo -69.8 -27.08 26.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.27 . . . . 33.44 112.3 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.29 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.885 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -41.46 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.905 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -55.84 -51.94 65.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.825 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.72 -45.47 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.907 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -137.4 119.48 15.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.193 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -43.82 -35.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.151 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 m -70.37 98.03 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 64.14 110.873 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.71 -23.72 66.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.14 111.145 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -47.76 105.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.873 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -152.18 173.54 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.78 117.96 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.51 110.898 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.26 98.05 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 41.13 110.885 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -121.95 140.05 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.893 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 60.09 35.63 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.919 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.39 26.2 65.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.793 -0.718 . . . . 74.33 112.473 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -128.38 145.52 51.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 74.01 110.992 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 t -105.62 119.33 38.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 65.24 110.86 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -115.32 97.17 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.961 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.74 128.46 36.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.888 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -83.73 -35.65 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.69 179.46 47.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 60.11 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.6 m -90.67 123.06 33.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 75.53 110.885 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 53.23 111.1 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 71.35 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.491 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.02 124.51 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 65.02 111.137 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -69.53 137.79 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 60.33 110.917 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 p -168.43 -175.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -126.64 -51.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.773 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.38 -177.1 41.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.808 -0.71 . . . . 64.33 112.497 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.472 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.3 m -79.46 -55.12 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 73.14 111.164 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -51.69 -42.64 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.922 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -51.77 -29.92 20.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 74.01 110.909 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -83.11 -39.05 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 65.14 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.472 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.43 -39.5 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.918 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 71.22 112.517 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.67 -27.19 27.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 33.44 112.31 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.56 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.47 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.842 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -55.86 -51.91 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 63.43 110.824 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.8 -45.46 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.11 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.6 p -137.48 119.69 15.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.148 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -44.27 -34.99 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 61.25 111.116 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.52 97.29 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.821 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -66.69 -23.19 66.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 73.14 111.158 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.86 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.908 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 t -152.48 175.04 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 75.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -134.46 117.95 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 70.51 110.901 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.37 100.73 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 41.13 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -124.84 140.03 53.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 64.14 110.841 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 59.85 35.8 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.89 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.06 26.21 65.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 74.33 112.495 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -128.26 144.99 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 74.01 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.67 116.68 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.24 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -113.85 97.28 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.21 134.51 56.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.933 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -88.46 -35.59 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.932 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.47 178.54 48.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 60.11 112.505 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.76 119.01 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 75.53 110.853 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 53.23 111.11 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.786 0.327 . . . . 71.35 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.484 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.35 124.14 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 65.02 111.112 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.39 138.06 51.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 60.33 110.943 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 p -167.06 -174.85 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -126.81 -51.1 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.856 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.88 -176.79 39.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 64.33 112.528 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.447 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.1 m -79.31 -55.19 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 73.14 111.092 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -51.78 -42.62 62.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.804 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -51.66 -30.05 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.2 -38.95 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.861 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.447 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.36 -39.59 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.7 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.72 -0.752 . . . . 71.22 112.525 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.484 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.77 -26.75 27.23 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.621 2.214 . . . . 33.44 112.405 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.36 -35.12 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -41.41 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.907 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -55.86 -51.77 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 63.43 110.957 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -72.92 -45.44 58.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 p -137.46 119.63 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.213 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -44.19 -35.06 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 61.25 111.127 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.6 m -70.59 97.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.14 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -23.27 66.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.109 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.86 105.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -152.2 176.05 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -136.25 117.98 15.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 70.51 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.05 101.67 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 41.13 110.928 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -125.09 140.03 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.841 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 58.63 35.88 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.954 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 26.1 65.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 74.33 112.512 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -127.86 145.17 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 74.01 110.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.0 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.845 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -113.7 97.23 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.889 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.12 133.66 55.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.89 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -87.84 -35.8 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.933 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.42 49.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 60.11 112.442 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -90.75 116.08 28.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 75.53 110.795 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.23 111.124 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.779 0.323 . . . . 71.35 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.457 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.99 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 65.02 111.177 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -69.42 138.16 53.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.33 110.863 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 p -163.72 174.94 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -116.41 -45.55 2.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.69 -169.39 20.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.779 -0.724 . . . . 64.33 112.508 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.51 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.36 -53.21 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 73.14 111.099 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -51.9 -44.37 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -51.26 -30.51 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.968 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.14 -38.47 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.14 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.51 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.34 -40.0 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 73.05 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.42 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.696 -0.764 . . . . 71.22 112.526 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.457 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.74 -26.51 27.6 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 33.44 112.356 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.89 -35.1 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.903 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -41.55 95.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.883 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -55.77 -51.89 65.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 63.43 110.886 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -72.81 -45.4 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.0 p -137.48 119.83 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.152 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.8 p -43.84 -35.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 61.25 111.135 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 m -70.45 98.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -24.51 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.14 111.161 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -48.15 104.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -149.51 176.0 11.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.94 117.85 15.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 70.51 110.928 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.96 103.19 14.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 41.13 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.2 140.19 53.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.76 38.41 24.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.868 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 26.24 62.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.33 112.455 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -130.44 150.39 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 74.01 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 t -103.53 125.49 50.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.865 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.73 97.19 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.888 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 m -62.1 142.63 57.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.929 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -88.47 -35.7 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.964 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 37' ' ' VAL . . . 78.7 144.53 2.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 60.11 112.483 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.69 117.05 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 75.53 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 35' ' ' GLY . 34.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 53.23 111.139 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.548 -0.221 . . . . 54.5 112.548 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -54.08 137.5 39.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.842 0.354 . . . . 71.35 110.849 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.489 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -84.4 125.17 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.02 111.146 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -68.92 133.52 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 60.33 110.933 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.6 p -165.01 -179.13 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.88 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -125.0 -53.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 63.32 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 -175.55 42.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 64.33 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -79.36 -54.16 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 73.14 111.124 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -51.9 -43.58 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.9 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -51.29 -30.59 18.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.953 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.19 -38.48 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.511 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.6 m0 -54.37 -39.96 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 73.05 110.936 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 71.22 112.485 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.78 -26.09 27.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 33.44 112.36 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.11 -32.63 73.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.82 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -72.46 -40.49 66.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.4 110.924 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -57.58 -34.47 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 63.43 110.928 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -91.18 -45.77 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.914 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 p -137.23 121.46 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 74.11 111.216 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -44.58 -35.03 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 61.25 111.201 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.3 m -69.97 93.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.14 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.75 -24.18 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.121 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -48.17 104.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.7 t -151.28 175.24 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 75.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -133.76 117.92 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.51 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.1 t -87.56 99.37 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 41.13 110.935 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -124.5 139.95 53.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.887 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 60.53 35.6 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.936 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.63 26.09 64.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 74.33 112.57 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -127.92 144.92 51.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.01 110.891 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 t -105.7 115.67 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.832 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -114.94 97.2 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.1 130.43 45.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.891 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -75.81 -35.5 60.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.887 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.19 168.58 38.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 60.11 112.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.1 m -86.11 116.15 24.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 75.53 110.823 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 53.23 111.185 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 54.5 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -55.81 137.89 49.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.315 . . . . 71.35 110.922 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.436 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.83 130.47 35.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 65.02 111.133 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -72.4 133.3 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 60.33 110.986 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.9 p -161.79 -176.2 5.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.941 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -125.37 -51.73 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.32 -173.19 31.18 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.546 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -77.4 -54.08 6.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 73.14 111.16 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -51.91 -44.23 63.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -51.09 -31.0 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.01 110.919 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.6 t -83.3 -38.19 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.546 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.3 -40.2 67.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.952 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.35 1.91 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 71.22 112.555 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.6 Cg_endo -69.77 -25.65 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 33.44 112.377 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -67.08 -32.73 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -72.4 -40.23 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.924 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -57.8 -34.58 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 63.43 110.859 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.91 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 p -137.34 121.7 18.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.144 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.1 p -44.55 -35.0 2.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 61.25 111.186 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.92 94.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.929 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.3 p -66.77 -24.4 66.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.179 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -48.2 104.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.879 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.8 t -151.01 173.85 13.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -131.15 117.93 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.51 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.45 103.18 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 41.13 110.877 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.89 139.49 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.89 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 62.46 35.58 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.35 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.37 26.21 63.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.452 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -127.58 143.12 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 74.01 110.89 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.1 t -105.59 118.79 37.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -119.25 97.35 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 m -62.04 134.34 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.876 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -80.51 -35.36 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 171.46 44.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.668 -0.777 . . . . 60.11 112.483 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.84 116.33 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 75.53 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 53.23 111.069 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.52 -0.232 . . . . 54.5 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.08 132.26 42.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 71.35 110.887 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.23 124.48 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.02 111.155 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -69.9 137.49 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 60.33 110.894 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.7 p -165.69 -176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -124.92 -51.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.877 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.5 -174.58 37.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 64.33 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.492 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -79.42 -54.5 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 73.14 111.146 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -51.9 -42.97 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -51.38 -30.54 19.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.31 -38.59 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.851 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.492 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.31 -39.92 67.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 73.05 110.923 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.53 1.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 71.22 112.467 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.5 Cg_endo -69.74 -26.06 28.07 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.709 2.273 . . . . 33.44 112.346 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.869 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.54 -40.55 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 71.4 110.92 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -57.72 -34.55 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 63.43 110.839 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -91.08 -45.68 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.828 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.3 p -137.13 121.22 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.186 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.41 -35.22 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 61.25 111.125 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.31 93.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.921 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.61 -23.67 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.154 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -47.89 104.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 73.14 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -151.31 176.05 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -135.47 117.85 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 70.51 110.936 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.5 102.01 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 41.13 110.925 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -126.58 140.04 52.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 64.14 110.858 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 59.68 35.74 22.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.62 26.14 64.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 74.33 112.493 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -127.88 144.75 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 74.01 110.854 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.63 116.69 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.919 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -116.08 97.22 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.07 129.86 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -77.59 -35.43 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.956 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 176.21 50.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 60.11 112.427 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.69 117.86 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 75.53 110.911 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 53.23 111.153 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.465 -0.254 . . . . 54.5 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.79 125.02 13.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 71.35 110.911 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.434 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -86.38 128.02 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 65.02 111.147 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -69.68 138.27 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 60.33 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 p -170.86 -175.85 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -128.08 -51.88 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.81 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.16 -177.19 42.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.534 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -78.98 -54.55 5.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 73.14 111.157 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -51.79 -43.64 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.838 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.56 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.93 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.25 -38.59 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 65.14 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.534 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.6 m0 -54.16 -40.04 67.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 73.05 110.932 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.46 -67.47 1.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.654 -0.784 . . . . 71.22 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.9 Cg_endo -69.77 -25.96 28.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.659 2.239 . . . . 33.44 112.384 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.85 -32.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.53 -40.67 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.846 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -57.61 -34.62 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.94 -45.62 8.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -137.29 121.24 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.2 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.2 p -44.48 -35.09 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.25 111.13 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.5 94.07 0.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 64.14 110.882 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.459 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.66 -23.63 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 73.14 111.172 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -48.07 104.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.21 176.02 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -135.81 117.92 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 70.51 110.86 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.49 101.93 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 41.13 110.856 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -127.65 139.97 52.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.14 110.918 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t30 61.25 35.36 18.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.3 26.17 63.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.457 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -129.28 145.49 51.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 74.01 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 t -105.66 117.61 34.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.802 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -116.16 97.26 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.866 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.15 130.19 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.908 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.32 -35.39 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 74.15 110.955 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.77 176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.766 . . . . 60.11 112.496 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.74 116.68 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 75.53 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 53.23 111.163 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.499 -0.241 . . . . 54.5 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -84.44 144.47 28.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 71.35 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.535 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.3 mp -81.26 123.49 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 65.02 111.121 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -71.1 137.13 48.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 60.33 110.845 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.9 p -165.95 -178.19 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.903 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -122.89 -51.99 1.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.81 -174.34 36.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 64.33 112.473 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.505 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -79.28 -53.15 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 73.14 111.156 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -52.24 -43.05 64.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -51.14 -31.01 18.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.845 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 t -83.24 -38.53 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 65.14 110.837 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.505 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.38 -39.89 67.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.925 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.55 1.83 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.791 -0.719 . . . . 71.22 112.45 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.2 Cg_endo -69.83 -26.31 27.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.635 2.223 . . . . 33.44 112.291 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -65.3 -35.08 79.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.884 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.5 94.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 71.4 110.847 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -55.76 -51.87 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 63.43 110.885 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.85 -45.47 58.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.48 119.9 15.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.13 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.2 p -43.93 -35.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 61.25 111.147 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 m -70.25 97.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.947 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -24.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.117 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -48.01 105.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.93 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.0 t -150.78 174.54 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -133.23 117.94 18.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 70.51 110.884 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -89.32 102.84 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 41.13 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 ptm -126.46 140.0 52.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.965 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 61.7 35.72 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.35 110.933 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.11 26.09 65.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.697 -0.763 . . . . 74.33 112.484 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -128.36 149.92 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 74.01 110.879 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.1 t -105.59 118.42 36.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.89 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -121.09 97.19 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.1 m -62.13 154.45 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -98.72 -35.54 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.891 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.56 152.63 8.43 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.745 -0.74 . . . . 60.11 112.498 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -70.51 116.52 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 75.53 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 53.23 111.154 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.529 -0.229 . . . . 54.5 112.529 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -81.2 143.71 32.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 71.35 110.87 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.489 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.66 124.45 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 65.02 111.18 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -70.08 137.86 51.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 60.33 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.6 p -166.4 -177.86 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.951 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -52.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.32 110.822 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.05 -175.07 39.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 64.33 112.451 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.481 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -79.43 -54.45 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.735 0.302 . . . . 73.14 111.172 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -52.02 -42.55 63.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 74.41 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -51.36 -30.61 19.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.31 -38.54 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.14 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.481 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.35 -39.9 67.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 73.05 110.898 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.47 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 71.22 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.2 Cg_endo -69.73 -26.15 28.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 33.44 112.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.89 -32.47 73.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.66 -40.53 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.4 110.872 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -57.69 -34.48 69.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 63.43 110.951 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -91.12 -45.56 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.921 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.0 p -137.22 121.15 17.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.145 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 p -44.48 -35.1 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 61.25 111.119 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.7 m -70.57 93.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.14 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.47 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -66.65 -22.97 66.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.155 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.08 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.842 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -151.77 176.08 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -135.88 117.93 15.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 70.51 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.61 100.78 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 41.13 110.907 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -125.34 140.06 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.828 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 t30 60.04 35.68 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.923 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.55 26.09 64.08 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.716 -0.754 . . . . 74.33 112.478 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -128.07 144.82 51.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.35 . . . . 74.01 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.63 116.83 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.924 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -115.97 97.13 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.895 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.3 m -62.1 131.17 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.952 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -80.52 -35.41 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.15 110.929 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.73 177.05 50.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 60.11 112.515 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.76 122.77 33.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 75.53 110.85 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.23 111.178 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.483 -0.247 . . . . 54.5 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.23 125.15 18.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.805 0.336 . . . . 71.35 110.872 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.408 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.3 mp -86.09 128.71 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 65.02 111.124 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -69.66 133.95 48.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 60.33 110.901 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p -163.84 -175.94 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.924 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -127.0 -51.99 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.53 -174.97 37.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 64.33 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.494 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -78.57 -54.94 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 73.14 111.128 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -51.92 -43.29 63.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.5 -30.4 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 74.01 110.914 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.14 -38.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.494 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.5 m0 -54.32 -39.96 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.05 111.006 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.42 -67.43 1.88 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 71.22 112.465 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.3 Cg_endo -69.82 -25.79 27.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 33.44 112.316 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.9 -32.63 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.62 -40.5 66.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.927 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -57.65 -34.66 69.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.843 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.99 -45.62 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.885 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 p -137.27 121.17 17.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.134 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -44.16 -35.5 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.25 111.112 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.95 94.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.912 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 ' HG2' ' A' ' 16' ' ' LYS . 1.3 p -66.66 -23.82 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.152 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.2 104.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.882 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.93 176.11 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.0 110.818 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -136.14 117.94 15.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 70.51 110.889 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -85.58 102.98 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 41.13 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -122.91 139.8 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.14 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m120 55.24 34.75 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.47 26.08 70.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.449 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -124.87 143.19 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 74.01 110.925 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 t -105.64 112.62 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 65.24 110.926 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -112.32 97.3 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.11 126.92 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -75.08 -35.29 61.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.904 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 175.71 48.53 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 60.11 112.477 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.1 m -90.65 121.49 32.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 75.53 110.901 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 53.23 111.139 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.477 -0.249 . . . . 54.5 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.51 136.08 57.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 71.35 110.847 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.527 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.87 124.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 65.02 111.205 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -69.32 135.69 50.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 60.33 110.855 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p -168.9 -179.45 3.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -124.47 -53.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.891 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.06 -177.01 45.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 64.33 112.488 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.498 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -79.1 -54.19 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 73.14 111.103 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -51.86 -42.87 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.42 -30.65 20.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.893 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.32 -38.55 21.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.498 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.2 m0 -54.45 -39.67 67.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 73.05 110.973 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.53 1.85 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 71.22 112.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.527 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.64 -26.74 27.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 33.44 112.416 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.51 -35.06 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.838 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -41.43 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.4 110.878 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -55.82 -51.91 65.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 63.43 110.836 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -72.75 -45.52 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 p -137.43 119.72 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.11 111.106 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 p -44.04 -35.18 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.121 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.8 m -70.35 97.56 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 64.14 110.826 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.76 -24.11 66.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.124 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -47.98 105.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.0 t -151.37 175.1 12.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 75.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -133.87 117.93 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 70.51 110.892 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.86 101.36 13.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 41.13 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.9 ptm -124.83 139.93 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.957 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.0 35.81 18.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 74.35 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.13 26.1 65.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.809 -0.71 . . . . 74.33 112.503 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -127.8 148.88 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 74.01 110.957 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.1 t -105.54 117.41 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.24 110.844 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -119.85 97.24 5.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.963 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 m -62.16 153.07 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.953 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -98.49 -35.48 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.976 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.58 153.03 7.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 60.11 112.469 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.12 116.39 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 75.53 110.849 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 53.23 111.12 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.423 -0.271 . . . . 54.5 112.423 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.87 136.32 34.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 71.35 110.847 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.549 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.2 mp -81.58 122.74 37.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 65.02 111.085 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -70.74 139.81 51.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 60.33 110.926 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 p -169.08 177.07 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.817 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -117.68 -53.67 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.838 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.5 -176.37 44.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.472 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.41 HG22 ' NE1' ' A' ' 12' ' ' TRP . 2.4 m -79.38 -54.9 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 73.14 111.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -39.86 59.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.876 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.51 -30.56 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.919 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.34 -39.0 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 65.14 110.901 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.41 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.38 -39.61 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.58 -67.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 71.22 112.455 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.549 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 Cg_endo -69.79 -26.88 26.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 33.44 112.324 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.5 -35.17 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.954 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.4 OUTLIER -65.06 -41.46 95.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.888 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.81 -51.84 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 63.43 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -72.86 -45.5 57.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 p -137.49 119.83 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 74.11 111.108 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -44.01 -35.1 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 61.25 111.144 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.83 96.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.14 110.802 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -66.75 -23.94 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.105 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -47.91 105.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 t -152.58 173.16 15.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 75.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -132.86 118.04 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 70.51 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.04 102.82 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 41.13 110.814 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -125.37 139.79 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.909 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 m120 61.57 35.8 17.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.901 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.97 26.07 65.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.33 112.549 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -128.59 148.56 50.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 74.01 110.912 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 t -105.67 119.19 38.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 65.24 110.877 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -118.86 97.21 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.971 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -62.01 140.01 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.876 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -89.01 -35.7 16.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.944 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.69 169.82 43.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.748 . . . . 60.11 112.539 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.78 118.58 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 75.53 110.924 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 53.23 111.145 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.546 -0.222 . . . . 54.5 112.546 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.69 150.93 36.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.327 . . . . 71.35 110.898 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.32 124.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.02 111.076 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -71.59 134.82 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.946 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 p -162.77 -176.35 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -125.32 -51.78 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.25 -174.67 37.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 64.33 112.523 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.466 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.1 m -79.42 -55.3 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 73.14 111.227 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ptp85 -51.76 -42.43 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -51.54 -30.33 20.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.884 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.18 -38.89 21.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.466 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.48 -39.59 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.05 110.915 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.57 1.83 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 71.22 112.493 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.0 Cg_endo -69.75 -27.03 27.01 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.758 2.305 . . . . 33.44 112.366 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.44 -35.26 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.36 95.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 71.4 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -51.81 66.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.964 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.97 -45.45 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -137.49 119.65 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.137 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -44.09 -35.03 1.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 61.25 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m -70.2 96.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 64.14 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.69 -23.95 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.74 105.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 73.14 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -152.21 176.04 12.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.35 117.99 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.78 102.46 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 41.13 110.868 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -126.02 137.96 53.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 64.14 110.846 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 61.2 35.55 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.56 26.14 64.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 74.33 112.511 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -126.6 147.04 49.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 74.01 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.61 118.19 35.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 65.24 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -120.31 97.4 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.927 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.7 m -62.12 142.24 57.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.784 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -88.77 -35.62 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.5 158.4 14.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 60.11 112.44 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.18 115.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 75.53 110.836 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 53.23 111.18 179.843 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.492 -0.243 . . . . 54.5 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -68.19 145.18 54.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.767 0.317 . . . . 71.35 110.881 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.1 123.79 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 65.02 111.146 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -70.62 136.42 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 60.33 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 p -164.97 -177.21 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.868 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -124.92 -52.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.873 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.45 -175.18 38.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 64.33 112.498 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.496 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -79.38 -54.32 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 73.14 111.174 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -51.92 -43.11 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -51.4 -30.48 19.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 74.01 110.933 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.19 -38.68 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.14 110.902 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.37 -39.81 67.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.891 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -67.5 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 71.22 112.49 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.479 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 33.44 112.313 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -65.22 -35.14 80.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.877 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -41.53 94.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.86 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -55.81 -51.87 65.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.876 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -72.74 -45.49 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.965 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.49 119.81 15.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.053 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -44.13 -35.04 2.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 61.25 111.151 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 m -70.5 97.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.834 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -23.86 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.157 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -48.06 105.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.841 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 t -151.45 175.44 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 117.99 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 70.51 110.823 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.85 101.31 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 41.13 110.831 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -124.9 139.99 53.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.892 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 59.82 35.75 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.949 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.09 26.16 65.38 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -128.09 147.14 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 74.01 110.858 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.8 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.24 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -115.12 97.33 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.913 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -61.98 134.97 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.906 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -87.03 -35.61 18.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 178.67 52.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 60.11 112.528 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 m -90.71 119.17 30.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 75.53 110.865 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 53.23 111.162 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.483 -0.247 . . . . 54.5 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -58.22 148.16 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 71.35 110.884 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 3' ' ' ILE . 5.3 mp -81.29 124.54 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.02 111.141 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -71.1 135.66 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 60.33 110.929 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 p -163.41 -178.62 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.908 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -124.02 -52.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.832 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.99 -174.9 39.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.649 -0.786 . . . . 64.33 112.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.443 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -79.37 -55.28 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.736 0.303 . . . . 73.14 111.097 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -51.87 -42.35 62.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 74.41 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -51.53 -30.36 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.884 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.2 -38.83 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 65.14 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.443 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.5 m0 -54.35 -39.7 67.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.48 -67.66 1.79 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.763 . . . . 71.22 112.488 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.0 Cg_endo -69.73 -26.68 27.48 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.628 2.219 . . . . 33.44 112.333 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.19 -35.21 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.939 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -41.36 94.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 71.4 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -55.8 -51.92 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 63.43 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -72.79 -45.52 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.927 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.6 p -137.5 119.69 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.186 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -44.08 -35.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 61.25 111.108 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -70.56 97.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 64.14 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.62 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.158 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -47.92 105.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -152.01 176.09 11.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 117.98 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 70.51 110.864 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.16 101.16 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 41.13 110.872 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -124.48 140.0 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 64.14 110.908 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 59.24 35.62 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.872 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.59 26.3 64.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.33 112.48 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -127.09 146.87 50.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 74.01 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.6 t -105.71 117.55 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.24 110.83 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -118.11 97.2 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.905 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -61.95 134.84 57.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -86.59 -35.63 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.886 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.59 178.23 52.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 60.11 112.534 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -90.35 120.85 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 75.53 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.069 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.479 -0.248 . . . . 54.5 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -81.61 145.52 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.771 0.32 . . . . 71.35 110.831 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.38 124.52 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 65.02 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -69.82 133.27 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 60.33 110.906 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 p -161.48 179.29 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.852 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -123.77 -43.91 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.17 -174.14 25.31 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.767 -0.73 . . . . 64.33 112.416 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.503 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -79.41 -54.58 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 73.14 111.137 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -44.33 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.858 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -51.29 -30.47 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.24 -38.56 22.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.841 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.503 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.4 -39.81 67.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.938 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.56 -67.43 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 71.22 112.508 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.76 -26.52 27.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 33.44 112.315 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -65.55 -35.07 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -41.49 94.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.875 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -55.8 -51.87 65.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.905 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.81 -45.47 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.913 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -137.42 119.7 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.11 111.176 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -43.99 -35.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.25 111.057 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.47 98.32 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.14 110.844 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -24.07 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.14 111.163 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -48.01 105.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.839 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -151.02 175.25 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -133.56 117.95 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 70.51 110.871 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.54 102.91 15.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 41.13 110.969 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -126.59 140.08 52.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.816 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 58.49 36.12 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.35 110.901 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.81 26.15 64.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 74.33 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -126.13 146.5 49.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.869 0.366 . . . . 74.01 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.61 116.21 31.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.922 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -117.14 97.33 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.893 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.9 m -62.16 142.95 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -93.38 -35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.946 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.11 175.79 50.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 60.11 112.504 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.2 m -90.77 118.55 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 75.53 110.917 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 53.23 111.126 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.445 -0.262 . . . . 54.5 112.445 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -87.72 142.86 27.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 71.35 110.797 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 3' ' ' ILE . 5.3 mp -81.7 129.31 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 65.02 111.169 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.49 142.28 51.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 60.33 110.884 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.8 p -167.85 177.41 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.918 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -118.65 -47.61 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.849 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.67 -170.09 23.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.473 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.56 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -79.41 -53.13 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 73.14 111.192 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -51.86 -44.47 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 74.41 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.29 -30.65 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.928 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.8 t -83.16 -38.53 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 65.14 110.853 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.56 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.31 -39.91 67.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.52 -67.52 1.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 71.22 112.494 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.77 -26.24 27.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.648 2.232 . . . . 33.44 112.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.96 -35.05 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -41.59 94.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 71.4 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -55.69 -51.88 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 63.43 110.903 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.82 -45.51 58.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.906 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 p -137.46 119.67 15.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.147 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -43.87 -35.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 61.25 111.122 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 m -70.75 99.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 64.14 110.916 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -66.67 -24.28 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.137 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.02 105.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -150.71 176.04 11.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 75.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -135.89 117.95 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 70.51 110.838 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.23 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 41.13 110.848 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptm -127.78 140.1 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 64.14 110.842 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 63.51 35.87 11.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.861 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.88 26.15 62.61 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 74.33 112.455 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -132.72 153.61 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 74.01 110.85 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.59 125.29 50.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.905 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.67 97.27 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.92 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.06 148.87 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.936 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -95.45 -35.73 11.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 154.01 10.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 60.11 112.47 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.67 121.12 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 75.53 110.861 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 53.23 111.131 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.487 -0.245 . . . . 54.5 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -75.03 135.01 41.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.827 0.346 . . . . 71.35 110.812 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.497 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.37 124.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 65.02 111.152 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -69.32 137.08 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 60.33 110.907 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.3 p -168.22 -177.44 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.913 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -125.69 -52.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.874 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 -176.88 43.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 64.33 112.526 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.487 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.2 m -79.41 -54.76 5.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 73.14 111.233 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -51.83 -42.57 62.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -51.54 -30.34 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.948 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.22 -38.85 21.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.874 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.487 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.2 m0 -54.31 -39.71 67.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 73.05 110.935 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -67.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 71.22 112.494 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 Cg_endo -69.83 -26.82 26.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.752 2.301 . . . . 33.44 112.327 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.5 -35.09 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.915 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.49 95.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 71.4 110.937 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -55.69 -51.97 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -72.75 -45.61 57.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 p -137.46 119.84 15.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.163 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -44.14 -35.07 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 61.25 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 m -70.37 97.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 64.14 110.83 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.68 -23.79 66.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.14 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -47.94 105.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.876 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 t -152.02 174.84 13.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -134.18 117.95 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 70.51 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -87.31 102.18 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 41.13 110.905 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -125.8 139.93 53.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.894 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 59.95 35.7 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.971 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.05 26.2 65.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 74.33 112.482 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -128.06 146.03 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 74.01 110.861 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -105.66 117.15 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 65.24 110.898 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -115.46 97.43 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.852 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.13 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.865 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.29 -35.77 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.954 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.28 176.91 49.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 60.11 112.497 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.8 m -90.74 118.86 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 75.53 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 53.23 111.128 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.473 -0.251 . . . . 54.5 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -86.36 142.9 28.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 71.35 110.799 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.497 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.81 124.78 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 65.02 111.126 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -66.66 141.78 57.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 60.33 110.883 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.3 p -169.85 -178.66 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -124.66 -46.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 63.32 110.896 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.7 -171.21 22.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 64.33 112.489 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -51.68 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 73.14 111.182 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -52.05 -46.6 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.883 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -51.14 -30.95 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.844 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 t -83.05 -38.07 23.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 65.14 110.951 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -54.2 -40.32 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 73.05 110.961 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.39 -67.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 71.22 112.43 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.2 Cg_endo -69.74 -25.65 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 33.44 112.349 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.58 -32.18 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.911 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -40.53 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 71.4 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -57.5 -34.95 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 63.43 110.86 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.72 -45.74 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 p -137.32 121.39 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.161 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.1 p -44.39 -35.02 2.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 61.25 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.58 96.18 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -66.78 -24.22 66.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.14 111.123 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -47.84 105.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -150.85 172.35 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -129.42 117.94 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 70.51 110.93 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t -90.79 98.54 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 41.13 110.929 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptp -124.4 139.89 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.863 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.51 35.72 14.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.887 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.43 26.12 63.85 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.479 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -127.11 148.3 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 74.01 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.9 t -105.54 115.27 29.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.97 97.21 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.933 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 m -62.85 154.59 29.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.86 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.32 -35.49 10.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.15 110.922 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.81 154.46 9.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 60.11 112.506 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.07 115.98 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 75.53 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 53.23 111.138 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.532 -0.227 . . . . 54.5 112.532 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.11 126.39 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 71.35 110.886 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.506 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -83.22 124.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.02 111.109 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.43 138.61 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 60.33 110.889 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.7 p -169.54 -174.96 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.895 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -126.8 -51.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 63.32 110.82 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.12 -177.33 40.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.716 . . . . 64.33 112.469 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.474 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -79.38 -54.7 5.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.717 0.294 . . . . 73.14 111.077 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -51.71 -42.96 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.868 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -51.68 -30.07 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.928 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.5 t -83.1 -38.86 21.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.935 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.474 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.3 m0 -54.41 -39.65 67.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.05 110.88 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.6 -67.52 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 71.22 112.475 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HG3' HG21 ' A' ' 3' ' ' ILE . 52.4 Cg_endo -69.8 -27.08 26.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.27 . . . . 33.44 112.3 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.29 -34.92 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.885 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -41.46 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.905 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -55.84 -51.94 65.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.825 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.72 -45.47 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.907 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -137.4 119.48 15.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.193 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -43.82 -35.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 61.25 111.151 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 m -70.37 98.03 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 64.14 110.873 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -66.71 -23.72 66.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.14 111.145 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -47.76 105.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.873 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -152.18 173.54 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.78 117.96 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.51 110.898 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -88.26 98.05 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 41.13 110.885 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -121.95 140.05 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.893 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 60.09 35.63 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.919 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.39 26.2 65.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.793 -0.718 . . . . 74.33 112.473 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -128.38 145.52 51.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 74.01 110.992 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 t -105.62 119.33 38.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 65.24 110.86 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -115.32 97.17 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.961 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.74 128.46 36.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.888 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -83.73 -35.65 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.69 179.46 47.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 60.11 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.6 m -90.67 123.06 33.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 75.53 110.885 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 53.23 111.1 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.486 -0.246 . . . . 54.5 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -66.66 143.5 56.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 71.35 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.02 124.51 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 65.02 111.137 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -69.53 137.79 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 60.33 110.917 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 p -168.43 -175.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -126.64 -51.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.773 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.38 -177.1 41.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.808 -0.71 . . . . 64.33 112.497 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.472 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.3 m -79.46 -55.12 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 73.14 111.164 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -51.69 -42.64 62.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.922 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -51.77 -29.92 20.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 74.01 110.909 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.8 t -83.11 -39.05 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 65.14 110.889 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.472 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.43 -39.5 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.918 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 71.22 112.517 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.67 -27.19 27.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 33.44 112.31 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.56 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -41.47 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.842 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -55.86 -51.91 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 63.43 110.824 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.8 -45.46 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.11 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.6 p -137.48 119.69 15.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.148 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 p -44.27 -34.99 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 61.25 111.116 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.52 97.29 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.821 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -66.69 -23.19 66.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 73.14 111.158 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.86 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.908 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 t -152.48 175.04 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 75.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -134.46 117.95 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 70.51 110.901 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.37 100.73 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 41.13 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -124.84 140.03 53.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 64.14 110.841 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 59.85 35.8 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.89 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.06 26.21 65.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 74.33 112.495 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -128.26 144.99 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 74.01 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.2 t -105.67 116.68 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.24 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -113.85 97.28 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.21 134.51 56.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.933 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -88.46 -35.59 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.932 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.47 178.54 48.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 60.11 112.505 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.76 119.01 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 75.53 110.853 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 53.23 111.11 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.464 -0.254 . . . . 54.5 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.32 142.68 32.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 71.35 110.855 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.484 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -82.35 124.14 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 65.02 111.112 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -70.39 138.06 51.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 60.33 110.943 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 p -167.06 -174.85 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -126.81 -51.1 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.856 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.88 -176.79 39.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 64.33 112.528 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.447 HG22 ' NE1' ' A' ' 12' ' ' TRP . 1.1 m -79.31 -55.19 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 73.14 111.092 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -51.78 -42.62 62.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.804 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -51.66 -30.05 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.2 -38.95 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.861 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.4 m0 -54.36 -39.59 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.43 -67.7 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.72 -0.752 . . . . 71.22 112.525 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.484 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.8 Cg_endo -69.77 -26.75 27.23 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.621 2.214 . . . . 33.44 112.405 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.36 -35.12 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -41.41 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.907 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -55.86 -51.77 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 63.43 110.957 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -72.92 -45.44 58.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 p -137.46 119.63 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.213 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -44.19 -35.06 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 61.25 111.127 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.6 m -70.59 97.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.14 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -23.27 66.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.109 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -47.86 105.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -152.2 176.05 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -136.25 117.98 15.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 70.51 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.05 101.67 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 41.13 110.928 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -125.09 140.03 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.841 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 58.63 35.88 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.954 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 26.1 65.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 74.33 112.512 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -127.86 145.17 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 74.01 110.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.0 t -105.63 116.16 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 65.24 110.845 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -113.7 97.23 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.889 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.12 133.66 55.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.89 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -87.84 -35.8 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.933 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.42 49.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.789 -0.72 . . . . 60.11 112.442 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -90.75 116.08 28.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 75.53 110.795 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 53.23 111.124 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.517 -0.233 . . . . 54.5 112.517 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.44 140.21 57.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 71.35 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.457 HG21 ' HG3' ' A' ' 14' ' ' PRO . 5.4 mp -81.99 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 65.02 111.177 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -69.42 138.16 53.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.33 110.863 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 p -163.72 174.94 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -116.41 -45.55 2.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.69 -169.39 20.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.779 -0.724 . . . . 64.33 112.508 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.51 HG22 ' NE1' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.36 -53.21 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 73.14 111.099 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -51.9 -44.37 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -51.26 -30.51 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.968 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.7 t -83.14 -38.47 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.14 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.51 ' NE1' HG22 ' A' ' 8' ' ' THR . 45.7 m0 -54.34 -40.0 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 73.05 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.51 -67.42 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.696 -0.764 . . . . 71.22 112.526 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.457 ' HG3' HG21 ' A' ' 3' ' ' ILE . 54.1 Cg_endo -69.74 -26.51 27.6 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 33.44 112.356 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.89 -35.1 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.903 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -41.55 95.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.883 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -55.77 -51.89 65.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 63.43 110.886 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -72.81 -45.4 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.0 p -137.48 119.83 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.152 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.8 p -43.84 -35.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 61.25 111.135 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 m -70.45 98.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -24.51 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.14 111.161 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -48.15 104.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -149.51 176.0 11.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.94 117.85 15.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 70.51 110.928 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.96 103.19 14.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 41.13 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.2 140.19 53.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.76 38.41 24.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.868 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 26.24 62.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.33 112.455 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -130.44 150.39 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 74.01 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 t -103.53 125.49 50.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.865 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -125.73 97.19 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.888 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 m -62.1 142.63 57.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.929 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -88.47 -35.7 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.964 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 37' ' ' VAL . . . 78.7 144.53 2.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 60.11 112.483 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.69 117.05 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 75.53 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 35' ' ' GLY . 34.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 53.23 111.139 179.947 . . . . . . . . 1 1 . 1 stop_ save_